2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol

C22H28ClFN2O — CID 42461723

IUPAC2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C22H28ClFN2O/c1-25(16-19-5-6-22(27)21(23)14-19)15-18-8-11-26(12-9-18)10-7-17-3-2-4-20(24)13-17/h2-6,13-14,18,27H,7-12,15-16H2,1H3
InChIKeyYICJAVXJQDPFDW-UHFFFAOYSA-N
MW390.93 g/mol
LogP4.57
Rot. Bonds7

About 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol

2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol (PubChem CID 42461723) has the molecular formula C22H28ClFN2O and a molecular weight of 390.93 g/mol. Its IUPAC name is 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
PubChem CID42461723
Molecular FormulaC22H28ClFN2O
Molecular Weight390.93 g/mol
Exact Mass390.19
IUPAC Name2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C22H28ClFN2O/c1-25(16-19-5-6-22(27)21(23)14-19)15-18-8-11-26(12-9-18)10-7-17-3-2-4-20(24)13-17/h2-6,13-14,18,27H,7-12,15-16H2,1H3
InChIKeyYICJAVXJQDPFDW-UHFFFAOYSA-N
XLogP4.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol with MolForge

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Related Compounds

5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 25303878
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
(2R)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,1-dimethylpiperidine-2-carboxamide
CID 42403620
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 42241330
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 42528622
1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
CID 72922458
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol (CID 42461723) is 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol is CN(Cc1ccc(O)c(Cl)c1)CC1CCN(CCc2cccc(F)c2)CC1.
What is the InChIKey of 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol?
The InChIKey is YICJAVXJQDPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN2O/c1-25(16-19-5-6-22(27)21(23)14-19)15-18-8-11-26(12-9-18)10-7-17-3-2-4-20(24)13-17/h2-6,13-14,18,27H,7-12,15-16H2,1H3.
What are the key properties of 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol?
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol has a molecular weight of 390.93 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol is sourced from PubChem (CID 42461723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).