(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine

C13H18Cl2N2O — CID 133133036

IUPAC(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
SMILESCO[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1N
InChIInChI=1S/C13H18Cl2N2O/c1-18-12-8-17(6-5-11(12)16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3/t11-,12+/m0/s1
InChIKeyJDYWZJRZOSXLJH-NWDGAFQWSA-N
MW289.21 g/mol
LogP2.54
Rot. Bonds3

About (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine

(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine (PubChem CID 133133036) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
PubChem CID133133036
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
SMILESCO[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1N
InChIInChI=1S/C13H18Cl2N2O/c1-18-12-8-17(6-5-11(12)16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3/t11-,12+/m0/s1
InChIKeyJDYWZJRZOSXLJH-NWDGAFQWSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine?
The IUPAC name of (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine (CID 133133036) is (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine is CO[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1N.
What is the InChIKey of (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine?
The InChIKey is JDYWZJRZOSXLJH-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-18-12-8-17(6-5-11(12)16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine?
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine has a molecular weight of 289.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 133133036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).