methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride

C13H29ClN2O — CID 143614635

IUPACmethane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
SMILESC.CC1CNCCC1C(=O)N1CCCCC1.Cl.[H][H]
InChIInChI=1S/C12H22N2O.CH4.ClH.H2/c1-10-9-13-6-5-11(10)12(15)14-7-3-2-4-8-14;;;/h10-11,13H,2-9H2,1H3;1H4;2*1H
InChIKeyRVNLDKSBIMBJNQ-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.55
Rot. Bonds1

About methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride

methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride (PubChem CID 143614635) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Namemethane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
PubChem CID143614635
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Namemethane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
SMILESC.CC1CNCCC1C(=O)N1CCCCC1.Cl.[H][H]
InChIInChI=1S/C12H22N2O.CH4.ClH.H2/c1-10-9-13-6-5-11(10)12(15)14-7-3-2-4-8-14;;;/h10-11,13H,2-9H2,1H3;1H4;2*1H
InChIKeyRVNLDKSBIMBJNQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
CID 114278715
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 120556975
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
[(3S,4S)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264100
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107222989

Frequently Asked Questions

What is the IUPAC name of methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride?
The IUPAC name of methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride (CID 143614635) is methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride.
What is the SMILES notation for methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride?
The canonical SMILES for methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride is C.CC1CNCCC1C(=O)N1CCCCC1.Cl.[H][H].
What is the InChIKey of methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride?
The InChIKey is RVNLDKSBIMBJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.CH4.ClH.H2/c1-10-9-13-6-5-11(10)12(15)14-7-3-2-4-8-14;;;/h10-11,13H,2-9H2,1H3;1H4;2*1H.
What are the key properties of methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride?
methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride is sourced from PubChem (CID 143614635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).