2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol

C14H20ClNO — CID 103886816

IUPAC2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10-4-3-5-11(2)16(10)9-12-6-7-14(17)13(15)8-12/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-,11+
InChIKeyCKDQYLXZEKQTMV-PHIMTYICSA-N
MW253.77 g/mol
LogP3.81
Rot. Bonds2

About 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol

2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol (PubChem CID 103886816) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
PubChem CID103886816
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10-4-3-5-11(2)16(10)9-12-6-7-14(17)13(15)8-12/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-,11+
InChIKeyCKDQYLXZEKQTMV-PHIMTYICSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol (CID 103886816) is 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol is C[C@@H]1CCC[C@H](C)N1Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol?
The InChIKey is CKDQYLXZEKQTMV-PHIMTYICSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-3-5-11(2)16(10)9-12-6-7-14(17)13(15)8-12/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-,11+.
What are the key properties of 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol?
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol is sourced from PubChem (CID 103886816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).