[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol

C16H25ClN2O — CID 62642989

IUPAC[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
SMILESCNC(CCN1CCCCC1CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyXRXFZKKOYDGTNG-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.84
Rot. Bonds6

About [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol

[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol (PubChem CID 62642989) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
PubChem CID62642989
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
SMILESCNC(CCN1CCCCC1CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyXRXFZKKOYDGTNG-UHFFFAOYSA-N
XLogP2.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol (CID 62642989) is [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol is CNC(CCN1CCCCC1CO)c1ccc(Cl)cc1.
What is the InChIKey of [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The InChIKey is XRXFZKKOYDGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3.
What are the key properties of [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol has a molecular weight of 296.84 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62642989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).