1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine

C18H24FN5 — CID 3173834

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-1-5-13-23)18-20-21-22-24(18)16-6-2-3-7-16/h8-11,16-17H,1-7,12-13H2
InChIKeySPWKYDUDUAOVHB-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.50
Rot. Bonds4

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

1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine (PubChem CID 3173834) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
PubChem CID3173834
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-1-5-13-23)18-20-21-22-24(18)16-6-2-3-7-16/h8-11,16-17H,1-7,12-13H2
InChIKeySPWKYDUDUAOVHB-UHFFFAOYSA-N
XLogP3.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668116
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 1443464
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine (CID 3173834) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine is Fc1ccc(C(c2nnnn2C2CCCC2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine?
The InChIKey is SPWKYDUDUAOVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-1-5-13-23)18-20-21-22-24(18)16-6-2-3-7-16/h8-11,16-17H,1-7,12-13H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine?
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine has a molecular weight of 329.42 g/mol, XLogP of 3.50, 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)-(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 3173834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).