1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine

C26H34N6O2 — CID 3208651

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1cccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)c1OC
InChIInChI=1S/C26H34N6O2/c1-33-23-15-9-14-22(25(23)34-2)24(26-27-28-29-32(26)21-12-7-4-8-13-21)31-18-16-30(17-19-31)20-10-5-3-6-11-20/h3,5-6,9-11,14-15,21,24H,4,7-8,12-13,16-19H2,1-2H3
InChIKeySKXNMMUPXCPHHN-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.11
Rot. Bonds7

About 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 3208651) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID3208651
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1cccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)c1OC
InChIInChI=1S/C26H34N6O2/c1-33-23-15-9-14-22(25(23)34-2)24(26-27-28-29-32(26)21-12-7-4-8-13-21)31-18-16-30(17-19-31)20-10-5-3-6-11-20/h3,5-6,9-11,14-15,21,24H,4,7-8,12-13,16-19H2,1-2H3
InChIKeySKXNMMUPXCPHHN-UHFFFAOYSA-N
XLogP4.11
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
3-[(1-cyclohexyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3176885

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine (CID 3208651) is 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine is COc1cccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)c1OC.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is SKXNMMUPXCPHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-33-23-15-9-14-22(25(23)34-2)24(26-27-28-29-32(26)21-12-7-4-8-13-21)31-18-16-30(17-19-31)20-10-5-3-6-11-20/h3,5-6,9-11,14-15,21,24H,4,7-8,12-13,16-19H2,1-2H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine has a molecular weight of 462.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 3208651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).