4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol

C13H19ClN2O — CID 82299026

IUPAC4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol
SMILESNCC1(O)CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)9-16-6-4-13(17,10-15)5-7-16/h1-3,8,17H,4-7,9-10,15H2
InChIKeyPRJMIWKRQFSBBF-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.63
Rot. Bonds3

About 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol

4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol (PubChem CID 82299026) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol
PubChem CID82299026
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol
SMILESNCC1(O)CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)9-16-6-4-13(17,10-15)5-7-16/h1-3,8,17H,4-7,9-10,15H2
InChIKeyPRJMIWKRQFSBBF-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

1-(3-Chlorobenzyl)piperazine
CID 764727
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
1-[4-[[(3-Chlorophenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53562896
2-[4-[[1-(3-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572032
1-(3-Chloro-4-fluorobenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70785268
1-[(3-Chlorophenyl)methyl]piperidin-4-amine dihydrochloride
CID 22748853
2-[(2-Aminoethyl)[(3-chlorophenyl)methyl]amino]ethan-1-ol
CID 121657436
1-(4-Chloro-benzyl)-piperidin-4-ol
CID 764482
4-[(3-Chloro-2-fluorophenyl)methyl-methylamino]-2-methylbutan-2-ol
CID 50972436
1-(3-Chlorobenzyl)piperidin-4-amine
CID 12641838
(1-((3-Chlorophenyl)methyl)piperidin-2-yl)methanamine
CID 43187039
1-(3-Chlorobenzyl)piperidin-3-ol
CID 2838460

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol (CID 82299026) is 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol is NCC1(O)CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol?
The InChIKey is PRJMIWKRQFSBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)9-16-6-4-13(17,10-15)5-7-16/h1-3,8,17H,4-7,9-10,15H2.
What are the key properties of 4-(aminomethyl)-1-[(3-chlorophenyl)methyl]piperidin-4-ol?
4-(aminomethyl)-1-[(3-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-[(3-chlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 82299026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).