1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine

C13H23N5 — CID 858596

IUPAC1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H23N5/c1-11-6-8-17(9-7-11)10-13-14-15-16-18(13)12-4-2-3-5-12/h11-12H,2-10H2,1H3
InChIKeyYKOZXHCMFPXHHY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.02
Rot. Bonds3

About 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine

1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine (PubChem CID 858596) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine
PubChem CID858596
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C13H23N5/c1-11-6-8-17(9-7-11)10-13-14-15-16-18(13)12-4-2-3-5-12/h11-12H,2-10H2,1H3
InChIKeyYKOZXHCMFPXHHY-UHFFFAOYSA-N
XLogP2.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine (CID 858596) is 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine is CC1CCN(Cc2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine?
The InChIKey is YKOZXHCMFPXHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11-6-8-17(9-7-11)10-13-14-15-16-18(13)12-4-2-3-5-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine?
1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine has a molecular weight of 249.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 858596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).