1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

C16H25ClN2O — CID 106589024

IUPAC1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCCN(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C16H25ClN2O/c1-20-12-13-5-4-9-19(11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-3,6-7,13,16H,4-5,8-12,18H2,1H3
InChIKeyFEJXOXGUWIPDDA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (PubChem CID 106589024) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
PubChem CID106589024
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCCN(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C16H25ClN2O/c1-20-12-13-5-4-9-19(11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-3,6-7,13,16H,4-5,8-12,18H2,1H3
InChIKeyFEJXOXGUWIPDDA-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (CID 106589024) is 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is COCC1CCCN(CCC(N)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is FEJXOXGUWIPDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-20-12-13-5-4-9-19(11-13)10-8-16(18)14-6-2-3-7-15(14)17/h2-3,6-7,13,16H,4-5,8-12,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 106589024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).