3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine

C66H133N11O — CID 159796469

IUPAC3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC(C)N1CCCC(N2CCN(C)CC2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H27N3.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyNJFRXQCESWFBAS-UHFFFAOYSA-N
MW1096.87 g/mol
LogP9.83
Rot. Bonds10

About 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine

3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (PubChem CID 159796469) has the molecular formula C66H133N11O and a molecular weight of 1096.87 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
PubChem CID159796469
Molecular FormulaC66H133N11O
Molecular Weight1096.87 g/mol
Exact Mass1096.07
IUPAC Name3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC(C)N1CCCC(N2CCN(C)CC2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H27N3.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyNJFRXQCESWFBAS-UHFFFAOYSA-N
XLogP9.83
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.87
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 157606312
1-Methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158498599
1-butyl-4-methylpiperazine;1-butyl-2-methylpiperidine;1-butylpyrrolidine;N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine;2-ethyl-1-methylpyrrolidine;1-methyl-2-propylpyrrolidine;1-(3-piperidin-1-ylpropyl)piperidine;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine;N,N,2-trimethylpropan-1-amine
CID 158956987
1-(2-Methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine
CID 159770755
Methane;1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine
CID 161776854

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (CID 159796469) is 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is CC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC(C)N1CCCC(N2CCN(C)CC2)C1.CC(C)N1CCCC(N2CCOCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1.
What is the InChIKey of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is NJFRXQCESWFBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2.C13H27N3.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)14-5-3-4-12(10-14)13-6-8-15-9-7-13;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine has a molecular weight of 1096.87 g/mol, XLogP of 9.83, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-methyl-4-(1-propan-2-ylpiperidin-3-yl)piperazine;4-(1-propan-2-ylpiperidin-3-yl)morpholine;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 159796469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).