1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride

C20H30ClN5O — CID 6603172

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15-11-13-24(14-12-15)19(16-7-9-18(26-2)10-8-16)20-21-22-23-25(20)17-5-3-4-6-17;/h7-10,15,17,19H,3-6,11-14H2,1-2H3;1H
InChIKeyRGMHOHKYNTYALI-UHFFFAOYSA-N
MW391.95 g/mol
LogP4.04
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride

1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride (PubChem CID 6603172) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride
PubChem CID6603172
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15-11-13-24(14-12-15)19(16-7-9-18(26-2)10-8-16)20-21-22-23-25(20)17-5-3-4-6-17;/h7-10,15,17,19H,3-6,11-14H2,1-2H3;1H
InChIKeyRGMHOHKYNTYALI-UHFFFAOYSA-N
XLogP4.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
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)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 645765
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-azepane
CID 646332
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 650070
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride (CID 6603172) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride is COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1.Cl.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride?
The InChIKey is RGMHOHKYNTYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-15-11-13-24(14-12-15)19(16-7-9-18(26-2)10-8-16)20-21-22-23-25(20)17-5-3-4-6-17;/h7-10,15,17,19H,3-6,11-14H2,1-2H3;1H.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride?
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 6603172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).