(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride

C13H25ClN2O — CID 119307759

IUPAC(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11-3-2-9-15(10-6-11)13(16)12-4-7-14-8-5-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyBYWBHTBKAFJLRV-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.06
Rot. Bonds1

About (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride

(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119307759) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID119307759
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCC1CCCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11-3-2-9-15(10-6-11)13(16)12-4-7-14-8-5-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyBYWBHTBKAFJLRV-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944

Frequently Asked Questions

What is the IUPAC name of (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride (CID 119307759) is (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride is CC1CCCN(C(=O)C2CCNCC2)CC1.Cl.
What is the InChIKey of (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is BYWBHTBKAFJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-11-3-2-9-15(10-6-11)13(16)12-4-7-14-8-5-12;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride?
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119307759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).