[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride

C13H17Cl3N2O — CID 119464789

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-11-5-1-4-10(12(11)15)13(18)17-6-2-3-9(7-16)8-17;/h1,4-5,9H,2-3,6-8,16H2;1H
InChIKeyOOWZJHQDARSZAO-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.23
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride (PubChem CID 119464789) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
PubChem CID119464789
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-11-5-1-4-10(12(11)15)13(18)17-6-2-3-9(7-16)8-17;/h1,4-5,9H,2-3,6-8,16H2;1H
InChIKeyOOWZJHQDARSZAO-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
[3-(aminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119464998

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride (CID 119464789) is [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride?
The InChIKey is OOWZJHQDARSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c14-11-5-1-4-10(12(11)15)13(18)17-6-2-3-9(7-16)8-17;/h1,4-5,9H,2-3,6-8,16H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119464789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).