1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol

C13H20N2O — CID 16786116

IUPAC1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
SMILESNCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-10,14H2
InChIKeyHTFVKXJKSSRXQI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.10
Rot. Bonds3

About 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol

1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 16786116) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
PubChem CID16786116
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol
SMILESNCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-10,14H2
InChIKeyHTFVKXJKSSRXQI-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
1-Benzylpiperidin-3-ol
CID 85773
1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
3-(Benzylamino)propanol
CID 78448
1-Benzylpiperidin-4-ol
CID 78461
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
CID 246288
(1-Benzylpiperidin-4-yl)methanol
CID 736802
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
4-(3-Aminopropoxy)-1-benzylpiperidine
CID 18425738
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol (CID 16786116) is 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol is NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is HTFVKXJKSSRXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-10,14H2.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol?
1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 16786116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).