1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine

C15H23ClN2O — CID 65027028

IUPAC1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCOc1ccc(CN2CCCCC2C(C)N)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11(17)14-5-3-4-8-18(14)10-12-6-7-15(19-2)13(16)9-12/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3
InChIKeyXEMLHNHTNOIMPQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.05
Rot. Bonds4

About 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 65027028) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID65027028
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCOc1ccc(CN2CCCCC2C(C)N)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11(17)14-5-3-4-8-18(14)10-12-6-7-15(19-2)13(16)9-12/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3
InChIKeyXEMLHNHTNOIMPQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
N-ethyl-1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 63855213
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129492346
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
CID 83982500

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine (CID 65027028) is 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine is COc1ccc(CN2CCCCC2C(C)N)cc1Cl.
What is the InChIKey of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is XEMLHNHTNOIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17)14-5-3-4-8-18(14)10-12-6-7-15(19-2)13(16)9-12/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 282.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 65027028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).