N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C20H25N3 — CID 56823418

IUPACN-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESC(=C/c1ccccc1)\CNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H25N3/c1-2-7-18(8-3-1)9-6-14-21-19-11-15-23(16-12-19)17-20-10-4-5-13-22-20/h1-10,13,19,21H,11-12,14-17H2/b9-6+
InChIKeyYMSQATWYSPCCAV-RMKNXTFCSA-N
MW307.44 g/mol
LogP3.35
Rot. Bonds6

About N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 56823418) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID56823418
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESC(=C/c1ccccc1)\CNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H25N3/c1-2-7-18(8-3-1)9-6-14-21-19-11-15-23(16-12-19)17-20-10-4-5-13-22-20/h1-10,13,19,21H,11-12,14-17H2/b9-6+
InChIKeyYMSQATWYSPCCAV-RMKNXTFCSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 97108511
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 56823418) is N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is C(=C/c1ccccc1)\CNC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is YMSQATWYSPCCAV-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-7-18(8-3-1)9-6-14-21-19-11-15-23(16-12-19)17-20-10-4-5-13-22-20/h1-10,13,19,21H,11-12,14-17H2/b9-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56823418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).