2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol

C15H22ClNO2 — CID 106869305

IUPAC2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
SMILESCc1ccc(CN2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-12-2-3-13(15(16)10-12)11-17-6-4-14(5-7-17)19-9-8-18/h2-3,10,14,18H,4-9,11H2,1H3
InChIKeyDQCQRURPQDDVNF-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 106869305) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
PubChem CID106869305
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
SMILESCc1ccc(CN2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-12-2-3-13(15(16)10-12)11-17-6-4-14(5-7-17)19-9-8-18/h2-3,10,14,18H,4-9,11H2,1H3
InChIKeyDQCQRURPQDDVNF-UHFFFAOYSA-N
XLogP2.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 82691035
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 82691707
5-bromo-N-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]-4-methylpyrimidin-2-amine
CID 59744262
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol (CID 106869305) is 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol is Cc1ccc(CN2CCC(OCCO)CC2)c(Cl)c1.
What is the InChIKey of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is DQCQRURPQDDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12-2-3-13(15(16)10-12)11-17-6-4-14(5-7-17)19-9-8-18/h2-3,10,14,18H,4-9,11H2,1H3.
What are the key properties of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 283.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 106869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).