N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine

C18H28N2 — CID 119107841

IUPACN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
SMILESC/C(=C\c1ccccc1)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C18H28N2/c1-15(2)20-11-9-18(10-12-20)19-14-16(3)13-17-7-5-4-6-8-17/h4-8,13,15,18-19H,9-12,14H2,1-3H3/b16-13+
InChIKeyWELXYIIUEKBAHR-DTQAZKPQSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds5

About N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine

N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 119107841) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID119107841
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
SMILESC/C(=C\c1ccccc1)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C18H28N2/c1-15(2)20-11-9-18(10-12-20)19-14-16(3)13-17-7-5-4-6-8-17/h4-8,13,15,18-19H,9-12,14H2,1-3H3/b16-13+
InChIKeyWELXYIIUEKBAHR-DTQAZKPQSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 56823400
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 119108400
N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 71934183
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 91940254
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 115574695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine (CID 119107841) is N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine is C/C(=C\c1ccccc1)CNC1CCN(C(C)C)CC1.
What is the InChIKey of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is WELXYIIUEKBAHR-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(2)20-11-9-18(10-12-20)19-14-16(3)13-17-7-5-4-6-8-17/h4-8,13,15,18-19H,9-12,14H2,1-3H3/b16-13+.
What are the key properties of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine?
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 119107841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).