6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine

C19H26N2 — CID 142103501

IUPAC6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC=C1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15,20H2
InChIKeyCEIVLPSMXZWSTO-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.50
Rot. Bonds4

About 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine

6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine (PubChem CID 142103501) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine
PubChem CID142103501
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC=C1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15,20H2
InChIKeyCEIVLPSMXZWSTO-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 123498879
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-[(4-benzylpiperidin-1-yl)methyl]-4,5-dimethylphenol
CID 7911115
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
3-[4-(4-benzylpiperidin-1-yl)but-2-ynyl]aniline
CID 70079958
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine (CID 142103501) is 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine is NC1=CCCC=C1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is CEIVLPSMXZWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15,20H2.
What are the key properties of 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine?
6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 282.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142103501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).