N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine

C22H29N3 — CID 71934183

IUPACN-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCC(=Cc1ccccc1)CNC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C22H29N3/c1-19(17-21-5-3-2-4-6-21)18-24-22-10-15-25(16-11-22)14-9-20-7-12-23-13-8-20/h2-8,12-13,17,22,24H,9-11,14-16,18H2,1H3
InChIKeyRBFWGAHCKQWPLC-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.78
Rot. Bonds7

About N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine

N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine (PubChem CID 71934183) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine
PubChem CID71934183
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC NameN-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCC(=Cc1ccccc1)CNC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C22H29N3/c1-19(17-21-5-3-2-4-6-21)18-24-22-10-15-25(16-11-22)14-9-20-7-12-23-13-8-20/h2-8,12-13,17,22,24H,9-11,14-16,18H2,1H3
InChIKeyRBFWGAHCKQWPLC-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
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
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 119108400
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine (CID 71934183) is N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine is CC(=Cc1ccccc1)CNC1CCN(CCc2ccncc2)CC1.
What is the InChIKey of N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The InChIKey is RBFWGAHCKQWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-19(17-21-5-3-2-4-6-21)18-24-22-10-15-25(16-11-22)14-9-20-7-12-23-13-8-20/h2-8,12-13,17,22,24H,9-11,14-16,18H2,1H3.
What are the key properties of N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine has a molecular weight of 335.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 71934183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).