(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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

C67H134N12O3 — CID 165020891

IUPAC(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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
InChIInChI=1S/C15H31N3.C14H27N3O.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)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;11-14H,5-10H2,1-4H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3/t;;12-,13+;;
InChIKeyLDIDNOPOMPKSCA-SILGOHHZSA-N
MW1155.89 g/mol
LogP8.02
Rot. Bonds11

About (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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;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 165020891) has the molecular formula C67H134N12O3 and a molecular weight of 1155.89 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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;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 CID165020891
Molecular FormulaC67H134N12O3
Molecular Weight1155.89 g/mol
Exact Mass1155.07
IUPAC Name(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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
InChIInChI=1S/C15H31N3.C14H27N3O.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)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;11-14H,5-10H2,1-4H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3/t;;12-,13+;;
InChIKeyLDIDNOPOMPKSCA-SILGOHHZSA-N
XLogP8.02
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.89
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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

1-Tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157194497
(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
Tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
CID 158091013
(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-dimethyl-2-propan-2-yloxyethanamine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-(1-propan-2-ylpiperidin-4-yl)morpholine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 158243058
1,4-Dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine
CID 158269361
1-butyl-4-(propan-2-yloxymethyl)piperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(propan-2-yloxymethyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-propan-2-yloxy-1-propylpiperidine
CID 158581800
N,N-bis(2-methoxyethyl)propan-2-amine;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;bis(N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine);1-methyl-4-(2-propan-2-yloxyethyl)piperazine;bis(1-(2-propan-2-yloxyethyl)piperidine)
CID 158594285
Ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 159428816
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
Ethane;methane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 160173185
N,N-dimethyl-2-propan-2-yloxyethanamine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-(1-propan-2-ylpiperidin-4-yl)morpholine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 160341253

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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;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 165020891) is (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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;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;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.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;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 LDIDNOPOMPKSCA-SILGOHHZSA-N. The full InChI is InChI=1S/C15H31N3.C14H27N3O.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)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;11-14H,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;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;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 1155.89 g/mol, XLogP of 8.02, 11 rotatable bonds, 0 hydrogen bond donors, and 14 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;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 165020891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).