(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C81H163N15O3 — CID 157377650

IUPAC(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCN(C2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.CC1CN(C2CCN(C(C)C)CC2)CC(C)N1
InChIInChI=1S/C15H31N3.C14H27N3O.C14H29N3.C14H28N2O.C12H24N2O.C12H24N2/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-12(2)15-6-4-14(5-7-15)17-10-8-16(9-11-17)13(3)18;1-11(2)16-7-5-14(6-8-16)17-9-12(3)15-13(4)10-17;1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14/h13-15H,5-12H2,1-4H3;12,14H,4-11H2,1-3H3;11-15H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3/t;;;12-,13+;;
InChIKeyBKMSBDLHIATCQR-WVTRENLWSA-N
MW1395.30 g/mol
LogP9.56
Rot. Bonds13

About (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 157377650) has the molecular formula C81H163N15O3 and a molecular weight of 1395.30 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
PubChem CID157377650
Molecular FormulaC81H163N15O3
Molecular Weight1395.30 g/mol
Exact Mass1394.31
IUPAC Name(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCN(C2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.CC1CN(C2CCN(C(C)C)CC2)CC(C)N1
InChIInChI=1S/C15H31N3.C14H27N3O.C14H29N3.C14H28N2O.C12H24N2O.C12H24N2/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-12(2)15-6-4-14(5-7-15)17-10-8-16(9-11-17)13(3)18;1-11(2)16-7-5-14(6-8-16)17-9-12(3)15-13(4)10-17;1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14/h13-15H,5-12H2,1-4H3;12,14H,4-11H2,1-3H3;11-15H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3/t;;;12-,13+;;
InChIKeyBKMSBDLHIATCQR-WVTRENLWSA-N
XLogP9.56
TPSA92.92 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.30
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 141468089
1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone
CID 141468135
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
2,2-Dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157278878
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;1-(3-methoxypropyl)piperidine;N-methylethanamine
CID 157500458
(2R,6S)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(3R,5S)-3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;(2S,6R)-1,2,6-trimethyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158193401
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;N-methylethanamine
CID 158340651
1,4-Dimethylpiperazine;1-methylpiperazine;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2,4,6-trimethylmorpholine
CID 158588420
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 158596499
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-one;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;2-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanol;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 159393612
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 157377650) is (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(=O)N1CCN(C2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.CC1CN(C2CCN(C(C)C)CC2)CC(C)N1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is BKMSBDLHIATCQR-WVTRENLWSA-N. The full InChI is InChI=1S/C15H31N3.C14H27N3O.C14H29N3.C14H28N2O.C12H24N2O.C12H24N2/c1-13(2)16-7-5-15(6-8-16)18-11-9-17(10-12-18)14(3)4;1-12(2)15-6-4-14(5-7-15)17-10-8-16(9-11-17)13(3)18;1-11(2)16-7-5-14(6-8-16)17-9-12(3)15-13(4)10-17;1-11(2)15-7-5-14(6-8-15)16-9-12(3)17-13(4)10-16;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14/h13-15H,5-12H2,1-4H3;12,14H,4-11H2,1-3H3;11-15H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3/t;;;12-,13+;;.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1395.30 g/mol, XLogP of 9.56, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 157377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).