1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine

C16H24N2 — CID 63845047

IUPAC1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-14(17)16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,14,16H,6,10-13,17H2,1H3/b9-5+
InChIKeyUXHTYWZJYLGGQI-WEVVVXLNSA-N
MW244.38 g/mol
LogP2.76
Rot. Bonds4

About 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine

1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine (PubChem CID 63845047) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
PubChem CID63845047
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-14(17)16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,14,16H,6,10-13,17H2,1H3/b9-5+
InChIKeyUXHTYWZJYLGGQI-WEVVVXLNSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
CID 115315662
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine
CID 74242201
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine (CID 63845047) is 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine?
The InChIKey is UXHTYWZJYLGGQI-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H24N2/c1-14(17)16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,14,16H,6,10-13,17H2,1H3/b9-5+.
What are the key properties of 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine?
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).