(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone

C15H20N6O — CID 120814501

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccccc2-n2cnnn2)CCC1N
InChIInChI=1S/C15H20N6O/c1-15(2)9-20(8-7-13(15)16)14(22)11-5-3-4-6-12(11)21-10-17-18-19-21/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyLNWXFDFRRPAJEP-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.86
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone (PubChem CID 120814501) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
PubChem CID120814501
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccccc2-n2cnnn2)CCC1N
InChIInChI=1S/C15H20N6O/c1-15(2)9-20(8-7-13(15)16)14(22)11-5-3-4-6-12(11)21-10-17-18-19-21/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyLNWXFDFRRPAJEP-UHFFFAOYSA-N
XLogP0.86
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 120820021
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
1-cyclopropyl-4-[2-(tetrazol-1-yl)benzoyl]piperazine-2-carbonitrile
CID 167855375
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)triazol-4-yl]methanone;hydrochloride
CID 120816567
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone (CID 120814501) is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone is CC1(C)CN(C(=O)c2ccccc2-n2cnnn2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is LNWXFDFRRPAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-15(2)9-20(8-7-13(15)16)14(22)11-5-3-4-6-12(11)21-10-17-18-19-21/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 120814501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).