1-[(3-butan-2-ylcyclopentyl)methyl]piperidine

C15H29N — CID 71268081

IUPAC1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
SMILESCCC(C)C1CCC(CN2CCCCC2)C1
InChIInChI=1S/C15H29N/c1-3-13(2)15-8-7-14(11-15)12-16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3
InChIKeyBTTDQHVXIKNLFT-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds4

About 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine

1-[(3-butan-2-ylcyclopentyl)methyl]piperidine (PubChem CID 71268081) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
PubChem CID71268081
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
SMILESCCC(C)C1CCC(CN2CCCCC2)C1
InChIInChI=1S/C15H29N/c1-3-13(2)15-8-7-14(11-15)12-16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3
InChIKeyBTTDQHVXIKNLFT-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine
CID 171081525
1-butan-2-yl-3-propylcyclopentane
CID 123336585
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
butan-2-ylcyclohexadecane
CID 123713671
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine?
The IUPAC name of 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine (CID 71268081) is 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine.
What is the SMILES notation for 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine?
The canonical SMILES for 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine is CCC(C)C1CCC(CN2CCCCC2)C1.
What is the InChIKey of 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine?
The InChIKey is BTTDQHVXIKNLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-13(2)15-8-7-14(11-15)12-16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine?
1-[(3-butan-2-ylcyclopentyl)methyl]piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butan-2-ylcyclopentyl)methyl]piperidine is sourced from PubChem (CID 71268081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).