1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine

C15H23ClN2O — CID 106587278

IUPAC1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCCN(c2ccc(C(C)N)c(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-11(17)14-6-5-13(8-15(14)16)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3
InChIKeyVAQSILPMEHFWCW-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine

1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine (PubChem CID 106587278) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
PubChem CID106587278
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCCN(c2ccc(C(C)N)c(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-11(17)14-6-5-13(8-15(14)16)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3
InChIKeyVAQSILPMEHFWCW-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
CID 106585865
1-[2-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81199647
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
CID 68824740
3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
CID 106585811
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chlorophenyl]ethanamine
CID 102726748
5-[3-(methoxymethyl)piperidin-1-yl]-2-nitroaniline
CID 106751923
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
2-bromo-4-[3-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107282373

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine (CID 106587278) is 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine is COCC1CCCN(c2ccc(C(C)N)c(Cl)c2)C1.
What is the InChIKey of 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
The InChIKey is VAQSILPMEHFWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17)14-6-5-13(8-15(14)16)18-7-3-4-12(9-18)10-19-2/h5-6,8,11-12H,3-4,7,9-10,17H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine?
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine has a molecular weight of 282.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 106587278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).