[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine

C16H24N2 — CID 66570063

IUPAC[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c17-13-16-10-6-12-18(14-16)11-5-4-9-15-7-2-1-3-8-15/h1-4,7-9,16H,5-6,10-14,17H2/b9-4+
InChIKeyWDEPYOVOHZGLFB-RUDMXATFSA-N
MW244.38 g/mol
LogP2.76
Rot. Bonds5

About [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine

[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine (PubChem CID 66570063) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
PubChem CID66570063
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c17-13-16-10-6-12-18(14-16)11-5-4-9-15-7-2-1-3-8-15/h1-4,7-9,16H,5-6,10-14,17H2/b9-4+
InChIKeyWDEPYOVOHZGLFB-RUDMXATFSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
CID 66569635
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
(1-benzylazepan-3-yl)methanamine
CID 15718476
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine (CID 66570063) is [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine is NCC1CCCN(CC/C=C/c2ccccc2)C1.
What is the InChIKey of [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine?
The InChIKey is WDEPYOVOHZGLFB-RUDMXATFSA-N. The full InChI is InChI=1S/C16H24N2/c17-13-16-10-6-12-18(14-16)11-5-4-9-15-7-2-1-3-8-15/h1-4,7-9,16H,5-6,10-14,17H2/b9-4+.
What are the key properties of [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine?
[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 66570063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).