2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride

C13H24ClNO — CID 2829710

IUPAC2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride
SMILESCl.O=C1CCCCCC1CN1CCCCC1
InChIInChI=1S/C13H23NO.ClH/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14;/h12H,1-11H2;1H
InChIKeyIOWOXPKMCAHXCM-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.04
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride

2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride (PubChem CID 2829710) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride
PubChem CID2829710
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride
SMILESCl.O=C1CCCCCC1CN1CCCCC1
InChIInChI=1S/C13H23NO.ClH/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14;/h12H,1-11H2;1H
InChIKeyIOWOXPKMCAHXCM-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pimeclone
CID 197861
Pimeclone hydrochloride
CID 197860
2-[(Dimethylamino)methyl]cyclododecan-1-one;hydrochloride
CID 378658
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
2,7-Bis(dimethylaminomethyl)cycloheptanone
CID 373399
2-Dimethylaminomethylcycloheptanone
CID 421056
8-Methyl-8-azabicyclo(4.3.1)decan-10-one
CID 541485
Cyclohexanone, dihydrochloride
CID 382272
2-(1-Piperidinylmethyl)cycloheptanone
CID 2829711
8-Ethyl-8-azabicyclo[4.3.1]decan-10-one
CID 16657285
2-(Diethylaminomethyl)cyclododecan-1-one;hydrochloride
CID 375937
2-(Piperidin-1-ylmethyl)cyclododecan-1-one;hydrochloride
CID 375939

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride?
The IUPAC name of 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride (CID 2829710) is 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride?
The canonical SMILES for 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride is Cl.O=C1CCCCCC1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride?
The InChIKey is IOWOXPKMCAHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14;/h12H,1-11H2;1H.
What are the key properties of 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride?
2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)cycloheptan-1-one;hydrochloride is sourced from PubChem (CID 2829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).