(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride

C18H23Cl2N3O — CID 119379268

IUPAC(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-13-16(18(22)21-11-5-8-15(19)12-21)9-10-17(20-13)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,15H,5,8,11-12,19H2,1H3;2*1H
InChIKeyHHMHQVTUDYITSA-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.46
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride

(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119379268) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119379268
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-13-16(18(22)21-11-5-8-15(19)12-21)9-10-17(20-13)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,15H,5,8,11-12,19H2,1H3;2*1H
InChIKeyHHMHQVTUDYITSA-UHFFFAOYSA-N
XLogP3.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride (CID 119379268) is (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(N)C1.Cl.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is HHMHQVTUDYITSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c1-13-16(18(22)21-11-5-8-15(19)12-21)9-10-17(20-13)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,15H,5,8,11-12,19H2,1H3;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119379268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).