4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol

C13H20N2O — CID 105476182

IUPAC4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
SMILESNCc1ccccc1CC1(O)CCNCC1
InChIInChI=1S/C13H20N2O/c14-10-12-4-2-1-3-11(12)9-13(16)5-7-15-8-6-13/h1-4,15-16H,5-10,14H2
InChIKeyWZAVFIOTZRNULM-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.80
Rot. Bonds3

About 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol

4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 105476182) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
PubChem CID105476182
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
SMILESNCc1ccccc1CC1(O)CCNCC1
InChIInChI=1S/C13H20N2O/c14-10-12-4-2-1-3-11(12)9-13(16)5-7-15-8-6-13/h1-4,15-16H,5-10,14H2
InChIKeyWZAVFIOTZRNULM-UHFFFAOYSA-N
XLogP0.80
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol (CID 105476182) is 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol is NCc1ccccc1CC1(O)CCNCC1.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is WZAVFIOTZRNULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-10-12-4-2-1-3-11(12)9-13(16)5-7-15-8-6-13/h1-4,15-16H,5-10,14H2.
What are the key properties of 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 105476182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).