1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

C26H35ClN6O — CID 6603101

IUPAC1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C26H34N6O.ClH/c1-33-24-13-11-22(12-14-24)25(31-19-17-30(18-20-31)23-9-5-6-10-23)26-27-28-29-32(26)16-15-21-7-3-2-4-8-21;/h2-4,7-8,11-14,23,25H,5-6,9-10,15-20H2,1H3;1H
InChIKeyWFXAABILFPRWPU-UHFFFAOYSA-N
MW483.06 g/mol
LogP4.00
Rot. Bonds8

About 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6603101) has the molecular formula C26H35ClN6O and a molecular weight of 483.06 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6603101
Molecular FormulaC26H35ClN6O
Molecular Weight483.06 g/mol
Exact Mass482.26
IUPAC Name1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C26H34N6O.ClH/c1-33-24-13-11-22(12-14-24)25(31-19-17-30(18-20-31)23-9-5-6-10-23)26-27-28-29-32(26)16-15-21-7-3-2-4-8-21;/h2-4,7-8,11-14,23,25H,5-6,9-10,15-20H2,1H3;1H
InChIKeyWFXAABILFPRWPU-UHFFFAOYSA-N
XLogP4.00
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride with MolForge

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
(2S,3S)-N-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10547681
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-((1-benzyl-1H-tetrazol-5-yl)(2,3-dihydrobenzofuran-5-yl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158485
1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6603101) is 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is WFXAABILFPRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O.ClH/c1-33-24-13-11-22(12-14-24)25(31-19-17-30(18-20-31)23-9-5-6-10-23)26-27-28-29-32(26)16-15-21-7-3-2-4-8-21;/h2-4,7-8,11-14,23,25H,5-6,9-10,15-20H2,1H3;1H.
What are the key properties of 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 483.06 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6603101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).