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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine

C65H131N11O2 — CID 162170539

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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCCC(N2CCC(O)CC2)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.C13H27N3.C13H26N2O.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)15-7-3-4-12(10-15)14-8-5-13(16)6-9-14;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;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyZNSNURHZGPSIKQ-UHFFFAOYSA-N
MW1098.84 g/mol
LogP8.41
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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (PubChem CID 162170539) has the molecular formula C65H131N11O2 and a molecular weight of 1098.84 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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
PubChem CID162170539
Molecular FormulaC65H131N11O2
Molecular Weight1098.84 g/mol
Exact Mass1098.05
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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCCC(N2CCC(O)CC2)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.C13H27N3.C13H26N2O.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)15-7-3-4-12(10-15)14-8-5-13(16)6-9-14;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;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyZNSNURHZGPSIKQ-UHFFFAOYSA-N
XLogP8.41
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001098.84
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine with MolForge

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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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (CID 162170539) 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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is CC(C)N1CCCC(N2CCC(O)CC2)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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is ZNSNURHZGPSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C13H27N3.C13H26N2O.C12H24N2O.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-12(2)16-6-4-5-13(11-16)15-9-7-14(3)8-10-15;1-11(2)15-7-3-4-12(10-15)14-8-5-13(16)6-9-14;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;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;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-ylpiperidin-3-yl)piperidin-4-ol;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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine has a molecular weight of 1098.84 g/mol, XLogP of 8.41, 10 rotatable bonds, 1 hydrogen bond donors, and 13 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-ylpiperidin-3-yl)piperidin-4-ol;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 162170539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).