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

C16H24N2 — CID 66569635

IUPACN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
SMILESCNC1CCCN(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-17-16-11-7-13-18(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17H,6-7,11-14H2,1H3/b10-5+
InChIKeyDGTDJSRJDUTUEK-BJMVGYQFSA-N
MW244.38 g/mol
LogP2.77
Rot. Bonds5

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

N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine (PubChem CID 66569635) 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-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
PubChem CID66569635
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
SMILESCNC1CCCN(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-17-16-11-7-13-18(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17H,6-7,11-14H2,1H3/b10-5+
InChIKeyDGTDJSRJDUTUEK-BJMVGYQFSA-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-4-amine
CID 66569637
[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
CID 66570063
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
CID 120837970
N-methyl-1-[2-(N-methylanilino)ethyl]piperidin-3-amine;dihydrochloride
CID 119918743
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
CID 95312212
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
CID 63845047
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine (CID 66569635) is N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine is CNC1CCCN(CC/C=C/c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine?
The InChIKey is DGTDJSRJDUTUEK-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-16-11-7-13-18(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17H,6-7,11-14H2,1H3/b10-5+.
What are the key properties of N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine?
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-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-3-amine is sourced from PubChem (CID 66569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).