1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine

C17H28N2 — CID 63254747

IUPAC1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
SMILESCCc1ccc(C(C)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19-12-6-5-7-17(19)13(2)18/h8-11,13-14,17H,4-7,12,18H2,1-3H3
InChIKeyCFSQUOJRCJSLQG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds4

About 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine

1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine (PubChem CID 63254747) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
PubChem CID63254747
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
SMILESCCc1ccc(C(C)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19-12-6-5-7-17(19)13(2)18/h8-11,13-14,17H,4-7,12,18H2,1-3H3
InChIKeyCFSQUOJRCJSLQG-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496086
1-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-2-yl]ethanamine
CID 114832292
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
CID 59890825
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
CID 63256046
1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 63254702
1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 64990466
1-[(4-ethylphenyl)-piperidin-1-ylmethyl]piperidine
CID 71395685

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine (CID 63254747) is 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine is CCc1ccc(C(C)N2CCCCC2C(C)N)cc1.
What is the InChIKey of 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is CFSQUOJRCJSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-8-10-16(11-9-15)14(3)19-12-6-5-7-17(19)13(2)18/h8-11,13-14,17H,4-7,12,18H2,1-3H3.
What are the key properties of 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine?
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).