1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine

C17H28N2O — CID 63595827

IUPAC1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
SMILESCCC(c1ccc(OC)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(15-5-7-16(20-3)8-6-15)19-11-9-14(10-12-19)13(2)18/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyDDWAYFBTLPBADS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds5

About 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine

1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine (PubChem CID 63595827) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
PubChem CID63595827
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
SMILESCCC(c1ccc(OC)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(15-5-7-16(20-3)8-6-15)19-11-9-14(10-12-19)13(2)18/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyDDWAYFBTLPBADS-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
1-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55016000
1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
CID 115311931
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238847

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine (CID 63595827) is 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine is CCC(c1ccc(OC)cc1)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine?
The InChIKey is DDWAYFBTLPBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(15-5-7-16(20-3)8-6-15)19-11-9-14(10-12-19)13(2)18/h5-8,13-14,17H,4,9-12,18H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine?
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).