1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde

C17H20N2O — CID 3156990

IUPAC1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChIKeyDYCKCLZHSRKOSL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde

1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde (PubChem CID 3156990) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde
PubChem CID3156990
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChIKeyDYCKCLZHSRKOSL-UHFFFAOYSA-N
XLogP3.14
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Benzoylpyridine
CID 7038
1-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde
CID 736217
Piberaline
CID 65975
1-Pyridin-3-yl-1H-pyrrole-2-carbaldehyde
CID 3153995
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-(3-Methylbutyl)-1H-pyrrole-2-carbaldehyde
CID 20560333
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
2-Methyl-1-(2-oxo-2-phenylethyl)pyridinium bromide
CID 12316824
4-Pyridin-2-ylbenzaldehyde
CID 1515240
1-phenyl-1H-pyrrole-2-carbaldehyde
CID 934729
2-(1H-pyrrol-1-yl)benzaldehyde
CID 4961259

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde (CID 3156990) is 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde is O=Cc1cccn1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde?
The InChIKey is DYCKCLZHSRKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde?
1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 3156990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).