(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride

C20H26ClN3O — CID 120815399

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CCC1N.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-20(2)14-23(13-12-18(20)21)19(24)16-10-6-7-11-17(16)22-15-8-4-3-5-9-15;/h3-11,18,22H,12-14,21H2,1-2H3;1H
InChIKeyOLXWPTRQPSPNOW-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.05
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride (PubChem CID 120815399) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
PubChem CID120815399
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CCC1N.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-20(2)14-23(13-12-18(20)21)19(24)16-10-6-7-11-17(16)22-15-8-4-3-5-9-15;/h3-11,18,22H,12-14,21H2,1-2H3;1H
InChIKeyOLXWPTRQPSPNOW-UHFFFAOYSA-N
XLogP4.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 120816990

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride (CID 120815399) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride is CC1(C)CN(C(=O)c2ccccc2Nc2ccccc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride?
The InChIKey is OLXWPTRQPSPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-20(2)14-23(13-12-18(20)21)19(24)16-10-6-7-11-17(16)22-15-8-4-3-5-9-15;/h3-11,18,22H,12-14,21H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride is sourced from PubChem (CID 120815399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).