(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol

C12H14ClF2NO — CID 107476748

IUPAC(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
SMILESOC(c1cc(F)c(F)cc1Cl)C1CCCCN1
InChIInChI=1S/C12H14ClF2NO/c13-8-6-10(15)9(14)5-7(8)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2
InChIKeyIEJZKKDXYJYNPH-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.79
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol

(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol (PubChem CID 107476748) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
PubChem CID107476748
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
SMILESOC(c1cc(F)c(F)cc1Cl)C1CCCCN1
InChIInChI=1S/C12H14ClF2NO/c13-8-6-10(15)9(14)5-7(8)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2
InChIKeyIEJZKKDXYJYNPH-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
3-chloro-4-[hydroxy(piperidin-2-yl)methyl]phenol;(2-fluorophenyl)-piperidin-2-ylmethanol
CID 158994486
azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676
(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol
CID 91365937
(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
CID 23658593
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
6-chloro-7-[hydroxy(pyrrolidin-2-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 64868985
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol (CID 107476748) is (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol is OC(c1cc(F)c(F)cc1Cl)C1CCCCN1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol?
The InChIKey is IEJZKKDXYJYNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c13-8-6-10(15)9(14)5-7(8)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol?
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol has a molecular weight of 261.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol is sourced from PubChem (CID 107476748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).