[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol

C18H25ClN4O — CID 131889279

IUPAC[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNCc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C18H25ClN4O/c19-17-6-1-2-7-18(17)23-13-15(12-21-23)11-20-8-10-22-9-4-3-5-16(22)14-24/h1-2,6-7,12-13,16,20,24H,3-5,8-11,14H2
InChIKeyDMERNOYNVLCKSW-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.46
Rot. Bonds7

About [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol

[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol (PubChem CID 131889279) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol
PubChem CID131889279
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNCc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C18H25ClN4O/c19-17-6-1-2-7-18(17)23-13-15(12-21-23)11-20-8-10-22-9-4-3-5-16(22)14-24/h1-2,6-7,12-13,16,20,24H,3-5,8-11,14H2
InChIKeyDMERNOYNVLCKSW-UHFFFAOYSA-N
XLogP2.46
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol (CID 131889279) is [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNCc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol?
The InChIKey is DMERNOYNVLCKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c19-17-6-1-2-7-18(17)23-13-15(12-21-23)11-20-8-10-22-9-4-3-5-16(22)14-24/h1-2,6-7,12-13,16,20,24H,3-5,8-11,14H2.
What are the key properties of [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol?
[1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol has a molecular weight of 348.88 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[1-(2-chlorophenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131889279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).