(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

C18H27ClN2O — CID 119325537

IUPAC(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-18(15-8-3-2-4-9-15)11-7-13-20(14-18)17(21)16-10-5-6-12-19-16;/h2-4,8-9,16,19H,5-7,10-14H2,1H3;1H
InChIKeyMENNUFSLKSHJAO-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.13
Rot. Bonds2

About (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119325537) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
PubChem CID119325537
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-18(15-8-3-2-4-9-15)11-7-13-20(14-18)17(21)16-10-5-6-12-19-16;/h2-4,8-9,16,19H,5-7,10-14H2,1H3;1H
InChIKeyMENNUFSLKSHJAO-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 119337174
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (CID 119325537) is (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is CC1(c2ccccc2)CCCN(C(=O)C2CCCCN2)C1.Cl.
What is the InChIKey of (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is MENNUFSLKSHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-18(15-8-3-2-4-9-15)11-7-13-20(14-18)17(21)16-10-5-6-12-19-16;/h2-4,8-9,16,19H,5-7,10-14H2,1H3;1H.
What are the key properties of (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119325537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).