[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride

C15H21ClN6O — CID 119595353

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-11(16)13-3-2-8-20(9-13)15(22)12-4-6-14(7-5-12)21-10-17-18-19-21;/h4-7,10-11,13H,2-3,8-9,16H2,1H3;1H
InChIKeyFVLJYCCCYKWNGZ-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.28
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 119595353) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID119595353
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-11(16)13-3-2-8-20(9-13)15(22)12-4-6-14(7-5-12)21-10-17-18-19-21;/h4-7,10-11,13H,2-3,8-9,16H2,1H3;1H
InChIKeyFVLJYCCCYKWNGZ-UHFFFAOYSA-N
XLogP1.28
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124692087
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
[3-(1-aminoethyl)piperidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119596854

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride (CID 119595353) is [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is FVLJYCCCYKWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c1-11(16)13-3-2-8-20(9-13)15(22)12-4-6-14(7-5-12)21-10-17-18-19-21;/h4-7,10-11,13H,2-3,8-9,16H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).