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

C14H22N2O — CID 139509898

IUPAC1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
SMILESCOc1ccc(N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)12-7-9-16(10-8-12)13-3-5-14(17-2)6-4-13/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyJUMSFZQOEUORSQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.26
Rot. Bonds3

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

1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine (PubChem CID 139509898) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
PubChem CID139509898
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
SMILESCOc1ccc(N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)12-7-9-16(10-8-12)13-3-5-14(17-2)6-4-13/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyJUMSFZQOEUORSQ-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
1-(4-methoxyphenyl)piperidine
CID 10130315
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine (CID 139509898) is 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine is COc1ccc(N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine?
The InChIKey is JUMSFZQOEUORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)12-7-9-16(10-8-12)13-3-5-14(17-2)6-4-13/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine?
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 139509898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).