1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine

C16H25ClN2O — CID 63972223

IUPAC1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2O/c1-20-12-13-5-8-19(9-6-13)10-7-16(18)14-3-2-4-15(17)11-14/h2-4,11,13,16H,5-10,12,18H2,1H3
InChIKeyCMXHZVXGZXUFGI-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.09
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine

1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine (PubChem CID 63972223) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
PubChem CID63972223
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC1CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2O/c1-20-12-13-5-8-19(9-6-13)10-7-16(18)14-3-2-4-15(17)11-14/h2-4,11,13,16H,5-10,12,18H2,1H3
InChIKeyCMXHZVXGZXUFGI-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-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine (CID 63972223) is 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine is COCC1CCN(CCC(N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is CMXHZVXGZXUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-20-12-13-5-8-19(9-6-13)10-7-16(18)14-3-2-4-15(17)11-14/h2-4,11,13,16H,5-10,12,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine?
1-(3-chlorophenyl)-3-[4-(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-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 63972223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).