1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane

C27H37ClN6 — CID 167662608

IUPAC1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
SMILESClc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[2H]C
InChIInChI=1S/C26H33ClN6.CH4/c27-23-13-11-22(12-14-23)25(32-19-17-31(18-20-32)24-9-5-2-6-10-24)26-28-29-30-33(26)16-15-21-7-3-1-4-8-21;/h1,3-4,7-8,11-14,24-25H,2,5-6,9-10,15-20H2;1H4/i;1D
InChIKeySDXMSGKBZHQVGX-DIYDOPDJSA-N
MW482.09 g/mol
LogP5.24
Rot. Bonds7

About 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane

1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane (PubChem CID 167662608) has the molecular formula C27H37ClN6 and a molecular weight of 482.09 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
PubChem CID167662608
Molecular FormulaC27H37ClN6
Molecular Weight482.09 g/mol
Exact Mass481.28
IUPAC Name1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
SMILESClc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[2H]C
InChIInChI=1S/C26H33ClN6.CH4/c27-23-13-11-22(12-14-23)25(32-19-17-31(18-20-32)24-9-5-2-6-10-24)26-28-29-30-33(26)16-15-21-7-3-1-4-8-21;/h1,3-4,7-8,11-14,24-25H,2,5-6,9-10,15-20H2;1H4/i;1D
InChIKeySDXMSGKBZHQVGX-DIYDOPDJSA-N
XLogP5.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.09
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 167687220
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane (CID 167662608) is 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane is Clc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[2H]C.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane?
The InChIKey is SDXMSGKBZHQVGX-DIYDOPDJSA-N. The full InChI is InChI=1S/C26H33ClN6.CH4/c27-23-13-11-22(12-14-23)25(32-19-17-31(18-20-32)24-9-5-2-6-10-24)26-28-29-30-33(26)16-15-21-7-3-1-4-8-21;/h1,3-4,7-8,11-14,24-25H,2,5-6,9-10,15-20H2;1H4/i;1D.
What are the key properties of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane?
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane has a molecular weight of 482.09 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane is sourced from PubChem (CID 167662608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).