1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine

C54H104N4 — CID 158649559

IUPAC1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CC2)CC1.CC(C)C1CCN(CC2CCC2)CC1.CC(C)C1CCN(CC2CCCC2)CC1.CC(C)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N.C14H27N.C13H25N.C12H23N/c1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)14-7-9-15(10-8-14)11-13-5-3-4-6-13;1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-10(2)12-5-7-13(8-6-12)9-11-3-4-11/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3
InChIKeyIBJMXXQMGFHHEI-UHFFFAOYSA-N
MW809.45 g/mol
LogP13.40
Rot. Bonds12

About 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine

1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine (PubChem CID 158649559) has the molecular formula C54H104N4 and a molecular weight of 809.45 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine
PubChem CID158649559
Molecular FormulaC54H104N4
Molecular Weight809.45 g/mol
Exact Mass808.83
IUPAC Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CC2)CC1.CC(C)C1CCN(CC2CCC2)CC1.CC(C)C1CCN(CC2CCCC2)CC1.CC(C)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N.C14H27N.C13H25N.C12H23N/c1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)14-7-9-15(10-8-14)11-13-5-3-4-6-13;1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-10(2)12-5-7-13(8-6-12)9-11-3-4-11/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3
InChIKeyIBJMXXQMGFHHEI-UHFFFAOYSA-N
XLogP13.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.45
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine with MolForge

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Related Compounds

1-(3,3-Difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
CID 157065437
4-Propan-2-yl-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 162230268
1-[(1-Methylcyclobutyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclohexyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopentyl)methyl]-4-propan-2-ylpiperidine;1-[(1-methylcyclopropyl)methyl]-4-propan-2-ylpiperidine
CID 159501889
1-Cyclobutyl-4-propan-2-ylpiperidine;1-cyclohexyl-4-propan-2-ylpiperidine;1-cyclopentyl-4-propan-2-ylpiperidine;1-cyclopropyl-4-propan-2-ylpiperidine
CID 159930940

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine (CID 158649559) is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CC2CC2)CC1.CC(C)C1CCN(CC2CCC2)CC1.CC(C)C1CCN(CC2CCCC2)CC1.CC(C)C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine?
The InChIKey is IBJMXXQMGFHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C14H27N.C13H25N.C12H23N/c1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)14-7-9-15(10-8-14)11-13-5-3-4-6-13;1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;1-10(2)12-5-7-13(8-6-12)9-11-3-4-11/h13-15H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine?
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine has a molecular weight of 809.45 g/mol, XLogP of 13.40, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 158649559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).