(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine

C16H24N2 — CID 70159543

IUPAC(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine
SMILESNCCC/C=C1\CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2/c17-11-5-4-9-16-10-6-12-18(14-16)13-15-7-2-1-3-8-15/h1-3,7-9H,4-6,10-14,17H2/b16-9+
InChIKeyHJGLGZQLPKTNGB-CXUHLZMHSA-N
MW244.38 g/mol
LogP2.95
Rot. Bonds5

About (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine

(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine (PubChem CID 70159543) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine.

Molecular Properties

Compound Name(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine
PubChem CID70159543
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine
SMILESNCCC/C=C1\CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2/c17-11-5-4-9-16-10-6-12-18(14-16)13-15-7-2-1-3-8-15/h1-3,7-9H,4-6,10-14,17H2/b16-9+
InChIKeyHJGLGZQLPKTNGB-CXUHLZMHSA-N
XLogP2.95
TPSA29.26 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
1-benzylpiperidin-3-one;hydrate
CID 144851326
2-(1-benzylpiperidin-4-ylidene)ethanamine
CID 63970705
1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
CID 54010458
1-benzylpiperidin-3-one;ethene
CID 153347429
ethyl 2-(1-benzylazepan-3-ylidene)acetate
CID 86619134
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-benzylazepane
CID 10954328
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
3-(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)propan-1-amine
CID 82379207
(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 138466026

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine?
The IUPAC name of (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine (CID 70159543) is (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine.
What is the SMILES notation for (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine?
The canonical SMILES for (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine is NCCC/C=C1\CCCN(Cc2ccccc2)C1.
What is the InChIKey of (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine?
The InChIKey is HJGLGZQLPKTNGB-CXUHLZMHSA-N. The full InChI is InChI=1S/C16H24N2/c17-11-5-4-9-16-10-6-12-18(14-16)13-15-7-2-1-3-8-15/h1-3,7-9H,4-6,10-14,17H2/b16-9+.
What are the key properties of (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine?
(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine is sourced from PubChem (CID 70159543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).