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

C15H21ClN6O — CID 119397457

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-16-9-12-3-2-8-20(10-12)15(22)13-4-6-14(7-5-13)21-11-17-18-19-21;/h4-7,11-12,16H,2-3,8-10H2,1H3;1H
InChIKeyVHIORXMQYGFSKI-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.16
Rot. Bonds4

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

[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 119397457) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID119397457
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-16-9-12-3-2-8-20(10-12)15(22)13-4-6-14(7-5-13)21-11-17-18-19-21;/h4-7,11-12,16H,2-3,8-10H2,1H3;1H
InChIKeyVHIORXMQYGFSKI-UHFFFAOYSA-N
XLogP1.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[3-(methylaminomethyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119398891
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[1-(4-bromophenyl)pyrazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398252
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride (CID 119397457) is [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is VHIORXMQYGFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c1-16-9-12-3-2-8-20(10-12)15(22)13-4-6-14(7-5-13)21-11-17-18-19-21;/h4-7,11-12,16H,2-3,8-10H2,1H3;1H.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119397457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).