5-piperidin-1-yl-1H-indole-2-carbaldehyde

C14H16N2O — CID 105485642

IUPAC5-piperidin-1-yl-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2cc(N3CCCCC3)ccc2[nH]1
InChIInChI=1S/C14H16N2O/c17-10-12-8-11-9-13(4-5-14(11)15-12)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2
InChIKeyXHZOHRGBKJEFFM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.97
Rot. Bonds2

About 5-piperidin-1-yl-1H-indole-2-carbaldehyde

5-piperidin-1-yl-1H-indole-2-carbaldehyde (PubChem CID 105485642) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-piperidin-1-yl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-1-yl-1H-indole-2-carbaldehyde
PubChem CID105485642
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-piperidin-1-yl-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2cc(N3CCCCC3)ccc2[nH]1
InChIInChI=1S/C14H16N2O/c17-10-12-8-11-9-13(4-5-14(11)15-12)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2
InChIKeyXHZOHRGBKJEFFM-UHFFFAOYSA-N
XLogP2.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-piperidin-1-yl-1H-indole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formamide;1-naphthalen-2-ylpiperidine
CID 175550918
4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbaldehyde
CID 13236362
2-formyl-1H-indole-5-carbonitrile
CID 11579193
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
CID 165396731
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
6-piperidin-1-yl-2H-indazole-3-carbaldehyde
CID 82391057
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 83972146
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1H-indole-2-carbaldehyde?
The IUPAC name of 5-piperidin-1-yl-1H-indole-2-carbaldehyde (CID 105485642) is 5-piperidin-1-yl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-piperidin-1-yl-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-piperidin-1-yl-1H-indole-2-carbaldehyde is O=Cc1cc2cc(N3CCCCC3)ccc2[nH]1.
What is the InChIKey of 5-piperidin-1-yl-1H-indole-2-carbaldehyde?
The InChIKey is XHZOHRGBKJEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-10-12-8-11-9-13(4-5-14(11)15-12)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-yl-1H-indole-2-carbaldehyde?
5-piperidin-1-yl-1H-indole-2-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 105485642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).