2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol

C15H22ClNO — CID 82980138

IUPAC2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
SMILESCCC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO/c1-3-15(2)6-8-17(9-7-15)11-12-4-5-14(18)13(16)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyCAOOCJMCWYHPJD-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol

2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol (PubChem CID 82980138) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
PubChem CID82980138
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
SMILESCCC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO/c1-3-15(2)6-8-17(9-7-15)11-12-4-5-14(18)13(16)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyCAOOCJMCWYHPJD-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061313
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
2-chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82979240
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
CID 162430253

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol (CID 82980138) is 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol is CCC1(C)CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is CAOOCJMCWYHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-15(2)6-8-17(9-7-15)11-12-4-5-14(18)13(16)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3.
What are the key properties of 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol?
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82980138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).