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

C19H27N5 — CID 3201581

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
SMILESCC1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H27N5/c1-15-11-13-23(14-12-15)18(16-7-3-2-4-8-16)19-20-21-22-24(19)17-9-5-6-10-17/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3
InChIKeyLISIFAWKIDVTLT-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.61
Rot. Bonds4

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

1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine (PubChem CID 3201581) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
PubChem CID3201581
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
SMILESCC1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H27N5/c1-15-11-13-23(14-12-15)18(16-7-3-2-4-8-16)19-20-21-22-24(19)17-9-5-6-10-17/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3
InChIKeyLISIFAWKIDVTLT-UHFFFAOYSA-N
XLogP3.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 3208714
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360364
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
2-[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 3201753
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine (CID 3201581) is 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine is CC1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine?
The InChIKey is LISIFAWKIDVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-11-13-23(14-12-15)18(16-7-3-2-4-8-16)19-20-21-22-24(19)17-9-5-6-10-17/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine?
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine has a molecular weight of 325.46 g/mol, XLogP of 3.61, 4 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)-phenylmethyl]-4-methylpiperidine is sourced from PubChem (CID 3201581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).