1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine

C25H31ClN6 — CID 1449106

IUPAC1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
SMILESClc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C25H31ClN6/c26-22-12-10-21(11-13-22)24(31-18-16-30(17-19-31)23-8-4-5-9-23)25-27-28-29-32(25)15-14-20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2/t24-/m1/s1
InChIKeyGCGCOHUVSORXEV-XMMPIXPASA-N
MW451.02 g/mol
LogP4.22
Rot. Bonds7

About 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine

1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine (PubChem CID 1449106) has the molecular formula C25H31ClN6 and a molecular weight of 451.02 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
PubChem CID1449106
Molecular FormulaC25H31ClN6
Molecular Weight451.02 g/mol
Exact Mass450.23
IUPAC Name1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
SMILESClc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C25H31ClN6/c26-22-12-10-21(11-13-22)24(31-18-16-30(17-19-31)23-8-4-5-9-23)25-27-28-29-32(25)15-14-20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2/t24-/m1/s1
InChIKeyGCGCOHUVSORXEV-XMMPIXPASA-N
XLogP4.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.02
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
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-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
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-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine (CID 1449106) is 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine is Clc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The InChIKey is GCGCOHUVSORXEV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H31ClN6/c26-22-12-10-21(11-13-22)24(31-18-16-30(17-19-31)23-8-4-5-9-23)25-27-28-29-32(25)15-14-20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2/t24-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine has a molecular weight of 451.02 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 1449106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).