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

C25H33ClN6O — CID 6602647

IUPAC1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C25H32N6O.ClH/c1-32-23-13-11-20(12-14-23)19-31-25(26-27-28-31)24(21-7-3-2-4-8-21)30-17-15-29(16-18-30)22-9-5-6-10-22;/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3;1H
InChIKeyUCALOOYWQAVZCC-UHFFFAOYSA-N
MW469.03 g/mol
LogP3.80
Rot. Bonds7

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

1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride (PubChem CID 6602647) has the molecular formula C25H33ClN6O and a molecular weight of 469.03 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
PubChem CID6602647
Molecular FormulaC25H33ClN6O
Molecular Weight469.03 g/mol
Exact Mass468.24
IUPAC Name1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C25H32N6O.ClH/c1-32-23-13-11-20(12-14-23)19-31-25(26-27-28-31)24(21-7-3-2-4-8-21)30-17-15-29(16-18-30)22-9-5-6-10-22;/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3;1H
InChIKeyUCALOOYWQAVZCC-UHFFFAOYSA-N
XLogP3.80
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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)(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)(3-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44160009
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
4-(4-Methoxy-phenyl)-1-[1-(4-methyl-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-ol
CID 644424
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride (CID 6602647) is 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride is COc1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(C3CCCC3)CC2)cc1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride?
The InChIKey is UCALOOYWQAVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.ClH/c1-32-23-13-11-20(12-14-23)19-31-25(26-27-28-31)24(21-7-3-2-4-8-21)30-17-15-29(16-18-30)22-9-5-6-10-22;/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3;1H.
What are the key properties of 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride?
1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride has a molecular weight of 469.03 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 6602647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).