4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol

C13H19ClN2O — CID 82298989

IUPAC4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
SMILESNCC1(O)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-11(2-4-12)9-16-7-5-13(17,10-15)6-8-16/h1-4,17H,5-10,15H2
InChIKeyGTOKXHOFLUTPDR-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.63
Rot. Bonds3

About 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol

4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol (PubChem CID 82298989) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
PubChem CID82298989
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
SMILESNCC1(O)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-11(2-4-12)9-16-7-5-13(17,10-15)6-8-16/h1-4,17H,5-10,15H2
InChIKeyGTOKXHOFLUTPDR-UHFFFAOYSA-N
XLogP1.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
(1-aminocyclohexyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119831345
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol (CID 82298989) is 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol is NCC1(O)CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol?
The InChIKey is GTOKXHOFLUTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-3-1-11(2-4-12)9-16-7-5-13(17,10-15)6-8-16/h1-4,17H,5-10,15H2.
What are the key properties of 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol?
4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol has a molecular weight of 254.76 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 82298989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).