4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol

C15H23ClN2O — CID 103351651

IUPAC4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
SMILESCCC1CCN(Cc2ccc(O)c(Cl)c2)C(CN)C1
InChIInChI=1S/C15H23ClN2O/c1-2-11-5-6-18(13(7-11)9-17)10-12-3-4-15(19)14(16)8-12/h3-4,8,11,13,19H,2,5-7,9-10,17H2,1H3
InChIKeyDFXHOCVXGAVPTC-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.99
Rot. Bonds4

About 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol

4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol (PubChem CID 103351651) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
PubChem CID103351651
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
SMILESCCC1CCN(Cc2ccc(O)c(Cl)c2)C(CN)C1
InChIInChI=1S/C15H23ClN2O/c1-2-11-5-6-18(13(7-11)9-17)10-12-3-4-15(19)14(16)8-12/h3-4,8,11,13,19H,2,5-7,9-10,17H2,1H3
InChIKeyDFXHOCVXGAVPTC-UHFFFAOYSA-N
XLogP2.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351813
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787029
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
CID 103353216
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
CID 82980644

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol?
The IUPAC name of 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol (CID 103351651) is 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol.
What is the SMILES notation for 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol?
The canonical SMILES for 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol is CCC1CCN(Cc2ccc(O)c(Cl)c2)C(CN)C1.
What is the InChIKey of 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol?
The InChIKey is DFXHOCVXGAVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-11-5-6-18(13(7-11)9-17)10-12-3-4-15(19)14(16)8-12/h3-4,8,11,13,19H,2,5-7,9-10,17H2,1H3.
What are the key properties of 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol?
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol has a molecular weight of 282.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol is sourced from PubChem (CID 103351651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).