[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C16H24N2O2 — CID 63255158

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(C)N)ccc1C
InChIInChI=1S/C16H24N2O2/c1-11-7-8-13(10-15(11)20-3)16(19)18-9-5-4-6-14(18)12(2)17/h7-8,10,12,14H,4-6,9,17H2,1-3H3
InChIKeyAJLANWVWEASWLS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 63255158) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID63255158
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2C(C)N)ccc1C
InChIInChI=1S/C16H24N2O2/c1-11-7-8-13(10-15(11)20-3)16(19)18-9-5-4-6-14(18)12(2)17/h7-8,10,12,14H,4-6,9,17H2,1-3H3
InChIKeyAJLANWVWEASWLS-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
[2-(1-aminoethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119436534
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 119435293
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 63255158) is [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCCCC2C(C)N)ccc1C.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is AJLANWVWEASWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-8-13(10-15(11)20-3)16(19)18-9-5-4-6-14(18)12(2)17/h7-8,10,12,14H,4-6,9,17H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 63255158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).