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

C19H29ClN6 — CID 6602635

IUPAC1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N6.ClH/c1-2-6-17(7-3-1)10-11-25-19(20-21-22-25)16-23-12-14-24(15-13-23)18-8-4-5-9-18;/h1-3,6-7,18H,4-5,8-16H2;1H
InChIKeyWCZCLHLEKSSTQZ-UHFFFAOYSA-N
MW376.94 g/mol
LogP2.40
Rot. Bonds6

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

1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6602635) has the molecular formula C19H29ClN6 and a molecular weight of 376.94 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6602635
Molecular FormulaC19H29ClN6
Molecular Weight376.94 g/mol
Exact Mass376.21
IUPAC Name1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N6.ClH/c1-2-6-17(7-3-1)10-11-25-19(20-21-22-25)16-23-12-14-24(15-13-23)18-8-4-5-9-18;/h1-3,6-7,18H,4-5,8-16H2;1H
InChIKeyWCZCLHLEKSSTQZ-UHFFFAOYSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.94
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(3-phenylpropyl)piperazine
CID 137635327
1-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)-4-(3-phenylpropyl)piperazine
CID 137645602
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-(2-phenylethyl)piperazine
CID 137646230
1-[2-(5-Benzhydryltetrazol-1-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 137648265
1-[2-(5-Benzhydryltetrazol-1-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 137655321
1-[2-(5-Benzhydryltetrazol-1-yl)ethyl]-4-benzylpiperidine
CID 137655842
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperidine
CID 137660066
1-Cyclopentyl-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647025

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6602635) is 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is Cl.c1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is WCZCLHLEKSSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.ClH/c1-2-6-17(7-3-1)10-11-25-19(20-21-22-25)16-23-12-14-24(15-13-23)18-8-4-5-9-18;/h1-3,6-7,18H,4-5,8-16H2;1H.
What are the key properties of 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 376.94 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6602635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).