(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride

C13H19ClN2O — CID 119676366

IUPAC(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-5-2-3-8-15(10)13(16)11-6-4-7-12(14)9-11;/h4,6-7,9-10H,2-3,5,8,14H2,1H3;1H
InChIKeySRMFSFZDVWNCEX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.71
Rot. Bonds1

About (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride

(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119676366) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119676366
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-5-2-3-8-15(10)13(16)11-6-4-7-12(14)9-11;/h4,6-7,9-10H,2-3,5,8,14H2,1H3;1H
InChIKeySRMFSFZDVWNCEX-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721797
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 119676366) is (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCCN1C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is SRMFSFZDVWNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10-5-2-3-8-15(10)13(16)11-6-4-7-12(14)9-11;/h4,6-7,9-10H,2-3,5,8,14H2,1H3;1H.
What are the key properties of (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119676366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).