1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine

C21H31N5 — CID 1433524

IUPAC1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
SMILESCc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1
InChIInChI=1S/C21H31N5/c1-16-8-10-18(11-9-16)20(25-14-12-17(2)13-15-25)21-22-23-24-26(21)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3/t20-/m1/s1
InChIKeyNAPMBABMRWFNIG-HXUWFJFHSA-N
MW353.51 g/mol
LogP4.31
Rot. Bonds4

About 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine

1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine (PubChem CID 1433524) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
PubChem CID1433524
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
SMILESCc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1
InChIInChI=1S/C21H31N5/c1-16-8-10-18(11-9-16)20(25-14-12-17(2)13-15-25)21-22-23-24-26(21)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3/t20-/m1/s1
InChIKeyNAPMBABMRWFNIG-HXUWFJFHSA-N
XLogP4.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.31
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-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
2-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 3193591
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
4-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433911
4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433910
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine (CID 1433524) is 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine is Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine?
The InChIKey is NAPMBABMRWFNIG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31N5/c1-16-8-10-18(11-9-16)20(25-14-12-17(2)13-15-25)21-22-23-24-26(21)19-6-4-3-5-7-19/h8-11,17,19-20H,3-7,12-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine?
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine has a molecular weight of 353.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 1433524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).