2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol

C21H27ClN2O — CID 45215252

IUPAC2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
SMILESCN(CCc1ccccc1)C1CCCN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C21H27ClN2O/c1-23(13-11-17-6-3-2-4-7-17)19-8-5-12-24(16-19)15-18-9-10-21(25)20(22)14-18/h2-4,6-7,9-10,14,19,25H,5,8,11-13,15-16H2,1H3
InChIKeyMYJIJJSZGSSCMX-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.18
Rot. Bonds6

About 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol

2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol (PubChem CID 45215252) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
PubChem CID45215252
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
SMILESCN(CCc1ccccc1)C1CCCN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C21H27ClN2O/c1-23(13-11-17-6-3-2-4-7-17)19-8-5-12-24(16-19)15-18-9-10-21(25)20(22)14-18/h2-4,6-7,9-10,14,19,25H,5,8,11-13,15-16H2,1H3
InChIKeyMYJIJJSZGSSCMX-UHFFFAOYSA-N
XLogP4.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
5-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]-2-methoxyphenol
CID 51633838
3-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]phenol
CID 51635899
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
2-methyl-4-[5-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 51633830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol (CID 45215252) is 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol is CN(CCc1ccccc1)C1CCCN(Cc2ccc(O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol?
The InChIKey is MYJIJJSZGSSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-23(13-11-17-6-3-2-4-7-17)19-8-5-12-24(16-19)15-18-9-10-21(25)20(22)14-18/h2-4,6-7,9-10,14,19,25H,5,8,11-13,15-16H2,1H3.
What are the key properties of 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol?
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol has a molecular weight of 358.91 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 45215252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).