1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride

C20H31ClN6 — CID 175654215

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
SMILESCCC(c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H30N6.ClH/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17;/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3;1H
InChIKeyJTSUONOPSYALNE-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.87
Rot. Bonds5

About 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride

1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride (PubChem CID 175654215) has the molecular formula C20H31ClN6 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
PubChem CID175654215
Molecular FormulaC20H31ClN6
Molecular Weight390.96 g/mol
Exact Mass390.23
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
SMILESCCC(c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H30N6.ClH/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17;/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3;1H
InChIKeyJTSUONOPSYALNE-UHFFFAOYSA-N
XLogP3.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
CID 171668130
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
CID 7383550
2-[4-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperazin-1-yl]-1,3-benzothiazole
CID 3700083
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
CID 3208700

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride (CID 175654215) is 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride is CCC(c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride?
The InChIKey is JTSUONOPSYALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6.ClH/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17;/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3;1H.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride?
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride is sourced from PubChem (CID 175654215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).