2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol

C14H20ClNO — CID 82974406

IUPAC2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)CN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-10-5-11(2)8-16(7-10)9-12-3-4-14(17)13(15)6-12/h3-4,6,10-11,17H,5,7-9H2,1-2H3
InChIKeyRPVKHAFFDCZPPG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.52
Rot. Bonds2

About 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol

2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol (PubChem CID 82974406) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
PubChem CID82974406
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)CN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-10-5-11(2)8-16(7-10)9-12-3-4-14(17)13(15)6-12/h3-4,6,10-11,17H,5,7-9H2,1-2H3
InChIKeyRPVKHAFFDCZPPG-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82975162
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
3-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974860
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
CID 103886816
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
1-[(3-bromo-4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83230226
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol (CID 82974406) is 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol is CC1CC(C)CN(Cc2ccc(O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is RPVKHAFFDCZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-5-11(2)8-16(7-10)9-12-3-4-14(17)13(15)6-12/h3-4,6,10-11,17H,5,7-9H2,1-2H3.
What are the key properties of 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol?
2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).