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

C19H30ClN3O — CID 131939705

IUPAC[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2
InChIKeyPVQSZBMDBJJWHW-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.75
Rot. Bonds6

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

[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (PubChem CID 131939705) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
PubChem CID131939705
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2
InChIKeyPVQSZBMDBJJWHW-UHFFFAOYSA-N
XLogP2.75
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]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)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (CID 131939705) is [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is PVQSZBMDBJJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2.
What are the key properties of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 351.92 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131939705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).