1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine

C14H22N2O — CID 61296672

IUPAC1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc(CCN2CCCC(N)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)8-10-16-9-2-3-13(15)11-16/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyBKNMQMXXRYELRS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine

1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine (PubChem CID 61296672) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
PubChem CID61296672
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc(CCN2CCCC(N)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)8-10-16-9-2-3-13(15)11-16/h4-7,13H,2-3,8-11,15H2,1H3
InChIKeyBKNMQMXXRYELRS-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine;hydrochloride
CID 119909999
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane
CID 64940736

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine (CID 61296672) is 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine is COc1ccc(CCN2CCCC(N)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The InChIKey is BKNMQMXXRYELRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)8-10-16-9-2-3-13(15)11-16/h4-7,13H,2-3,8-11,15H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine?
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61296672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).