3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

C18H24N2 — CID 123498879

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESNC1=CC(CN2CCC(Cc3ccccc3)CC2)=CC1
InChIInChI=1S/C18H24N2/c19-18-7-6-17(13-18)14-20-10-8-16(9-11-20)12-15-4-2-1-3-5-15/h1-6,13,16H,7-12,14,19H2
InChIKeyJVZPRMMNJOSAPP-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.11
Rot. Bonds4

About 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (PubChem CID 123498879) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
PubChem CID123498879
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESNC1=CC(CN2CCC(Cc3ccccc3)CC2)=CC1
InChIInChI=1S/C18H24N2/c19-18-7-6-17(13-18)14-20-10-8-16(9-11-20)12-15-4-2-1-3-5-15/h1-6,13,16H,7-12,14,19H2
InChIKeyJVZPRMMNJOSAPP-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-benzylpiperidin-1-yl)methyl]cyclohexa-1,5-dien-1-amine
CID 142103501
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
CID 15329907
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
CID 18621544
3-[4-(4-benzylpiperidin-1-yl)but-2-ynyl]aniline
CID 70079958

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (CID 123498879) is 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is NC1=CC(CN2CCC(Cc3ccccc3)CC2)=CC1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is JVZPRMMNJOSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-18-7-6-17(13-18)14-20-10-8-16(9-11-20)12-15-4-2-1-3-5-15/h1-6,13,16H,7-12,14,19H2.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 123498879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).