1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine

C25H38N6 — CID 3208575

IUPAC1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N6/c1-20-12-14-21(15-13-20)24(25-26-27-28-31(25)23-10-6-3-7-11-23)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h12-15,22-24H,2-11,16-19H2,1H3
InChIKeyZKCFCARIMYYOFO-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.53
Rot. Bonds5

About 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine

1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine (PubChem CID 3208575) has the molecular formula C25H38N6 and a molecular weight of 422.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
PubChem CID3208575
Molecular FormulaC25H38N6
Molecular Weight422.62 g/mol
Exact Mass422.32
IUPAC Name1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N6/c1-20-12-14-21(15-13-20)24(25-26-27-28-31(25)23-10-6-3-7-11-23)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h12-15,22-24H,2-11,16-19H2,1H3
InChIKeyZKCFCARIMYYOFO-UHFFFAOYSA-N
XLogP4.53
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 3193591
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclopentylpiperazine
CID 1443842
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
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-cyclohexyl-4-[(S)-(4-methylphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 28670893
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
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine (CID 3208575) is 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine is Cc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine?
The InChIKey is ZKCFCARIMYYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6/c1-20-12-14-21(15-13-20)24(25-26-27-28-31(25)23-10-6-3-7-11-23)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h12-15,22-24H,2-11,16-19H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine?
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine has a molecular weight of 422.62 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 3208575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).