1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine

C16H26N2O — CID 115311931

IUPAC1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
SMILESCCC(c1ccc(OC)cc1)N1CCC(N)CC1C
InChIInChI=1S/C16H26N2O/c1-4-16(13-5-7-15(19-3)8-6-13)18-10-9-14(17)11-12(18)2/h5-8,12,14,16H,4,9-11,17H2,1-3H3
InChIKeyZKEVUKXHYXPBFK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine

1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine (PubChem CID 115311931) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
PubChem CID115311931
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
SMILESCCC(c1ccc(OC)cc1)N1CCC(N)CC1C
InChIInChI=1S/C16H26N2O/c1-4-16(13-5-7-15(19-3)8-6-13)18-10-9-14(17)11-12(18)2/h5-8,12,14,16H,4,9-11,17H2,1-3H3
InChIKeyZKEVUKXHYXPBFK-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)propyl]-2-methylpiperidin-4-amine
CID 113284289
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068370
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
CID 115313000
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
9-hydroxy-3-[1-(4-methoxyphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996292
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine (CID 115311931) is 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine is CCC(c1ccc(OC)cc1)N1CCC(N)CC1C.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine?
The InChIKey is ZKEVUKXHYXPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(13-5-7-15(19-3)8-6-13)18-10-9-14(17)11-12(18)2/h5-8,12,14,16H,4,9-11,17H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine?
1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115311931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).