[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride

C13H19ClN2O2 — CID 166451635

IUPAC[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C13H18N2O2.ClH/c14-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)16;/h1-4,10,16H,5-9,14H2;1H
InChIKeyUSLQGLJHJGUCEU-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.62
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride

[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride (PubChem CID 166451635) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
PubChem CID166451635
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C13H18N2O2.ClH/c14-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)16;/h1-4,10,16H,5-9,14H2;1H
InChIKeyUSLQGLJHJGUCEU-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119423120
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788310
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[3-(aminomethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 55030749
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride (CID 166451635) is [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride?
The InChIKey is USLQGLJHJGUCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c14-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)16;/h1-4,10,16H,5-9,14H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 166451635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).