N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine

C16H24N2 — CID 66569637

IUPACN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
SMILESCNC1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-17-16-10-13-18(14-11-16)12-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b9-5+
InChIKeyPGEDAWRQGWMTAL-WEVVVXLNSA-N
MW244.38 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine

N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine (PubChem CID 66569637) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
PubChem CID66569637
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
SMILESCNC1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-17-16-10-13-18(14-11-16)12-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b9-5+
InChIKeyPGEDAWRQGWMTAL-WEVVVXLNSA-N
XLogP2.77
TPSA15.27 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 ≤ 52.77
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
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
CID 139776343
2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
CID 110711063
[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
CID 66570063
N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
CID 127264736
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
CID 110747126
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 120839732

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine (CID 66569637) is N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine is CNC1CCN(CC/C=C/c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine?
The InChIKey is PGEDAWRQGWMTAL-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-16-10-13-18(14-11-16)12-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b9-5+.
What are the key properties of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine?
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine is sourced from PubChem (CID 66569637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).