(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

C12H23ClN2O — CID 2794697

IUPAC(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyITPHYLQZNJAUDV-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds1

About (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (PubChem CID 2794697) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
PubChem CID2794697
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyITPHYLQZNJAUDV-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
N,N-dimethyl-1-[(2S)-piperidine-2-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 119687527
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (CID 2794697) is (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is CC1CCN(C(=O)C2CCCCN2)CC1.Cl.
What is the InChIKey of (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is ITPHYLQZNJAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 2794697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).