N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine

C21H33N3 — CID 119108400

IUPACN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESC/C(=C\c1ccccc1)CNC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H33N3/c1-18(16-19-6-4-3-5-7-19)17-22-20-8-14-24(15-9-20)21-10-12-23(2)13-11-21/h3-7,16,20-22H,8-15,17H2,1-2H3/b18-16+
InChIKeyIESUULKFSTUMIQ-FBMGVBCBSA-N
MW327.52 g/mol
LogP3.24
Rot. Bonds5

About N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine

N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 119108400) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID119108400
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESC/C(=C\c1ccccc1)CNC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H33N3/c1-18(16-19-6-4-3-5-7-19)17-22-20-8-14-24(15-9-20)21-10-12-23(2)13-11-21/h3-7,16,20-22H,8-15,17H2,1-2H3/b18-16+
InChIKeyIESUULKFSTUMIQ-FBMGVBCBSA-N
XLogP3.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 56823400
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
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
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
(2S,4R)-4-[(2-methyl-3-phenylprop-2-enyl)amino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 91940254

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 119108400) is N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine is C/C(=C\c1ccccc1)CNC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is IESUULKFSTUMIQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H33N3/c1-18(16-19-6-4-3-5-7-19)17-22-20-8-14-24(15-9-20)21-10-12-23(2)13-11-21/h3-7,16,20-22H,8-15,17H2,1-2H3/b18-16+.
What are the key properties of N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 327.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 119108400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).