2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol

C23H30ClNO2 — CID 162430253

IUPAC2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
SMILESCCOCC1(CCc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C23H30ClNO2/c1-2-27-18-23(11-10-19-6-4-3-5-7-19)12-14-25(15-13-23)17-20-8-9-22(26)21(24)16-20/h3-9,16,26H,2,10-15,17-18H2,1H3
InChIKeyGYJSBMVHGWTPKJ-UHFFFAOYSA-N
MW387.95 g/mol
LogP5.30
Rot. Bonds8

About 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol

2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol (PubChem CID 162430253) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
PubChem CID162430253
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
SMILESCCOCC1(CCc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C23H30ClNO2/c1-2-27-18-23(11-10-19-6-4-3-5-7-19)12-14-25(15-13-23)17-20-8-9-22(26)21(24)16-20/h3-9,16,26H,2,10-15,17-18H2,1H3
InChIKeyGYJSBMVHGWTPKJ-UHFFFAOYSA-N
XLogP5.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.95
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820909
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
4-(ethoxymethyl)-4-(2-phenylethyl)-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
CID 140909132
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 135322728
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
CID 135323023
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
[3-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl] N-methylcarbamate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820945
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol (CID 162430253) is 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol is CCOCC1(CCc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is GYJSBMVHGWTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO2/c1-2-27-18-23(11-10-19-6-4-3-5-7-19)12-14-25(15-13-23)17-20-8-9-22(26)21(24)16-20/h3-9,16,26H,2,10-15,17-18H2,1H3.
What are the key properties of 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 387.95 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 162430253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).