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

C12H24N2O2 — CID 141109294

IUPAC2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol
SMILESNCC1CCN(CC2CC(O)CCO2)CC1
InChIInChI=1S/C12H24N2O2/c13-8-10-1-4-14(5-2-10)9-12-7-11(15)3-6-16-12/h10-12,15H,1-9,13H2
InChIKeyWNTVUQPBZDZXQT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds3

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

2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 141109294) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol
PubChem CID141109294
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol
SMILESNCC1CCN(CC2CC(O)CCO2)CC1
InChIInChI=1S/C12H24N2O2/c13-8-10-1-4-14(5-2-10)9-12-7-11(15)3-6-16-12/h10-12,15H,1-9,13H2
InChIKeyWNTVUQPBZDZXQT-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

octahydro-2H-pyrano(2,3-c)pyridin-4-ol
CID 138987667
[1-(Oxan-2-ylmethyl)piperidin-4-yl]methanamine
CID 43591932
4-Morpholin-4-yl-1-piperidin-4-ylbutan-1-ol
CID 54054871
3-Morpholin-4-yl-1-piperidin-4-ylpropan-1-ol
CID 54079811
2H-Pyran-4-ol, 4-[[4-(aminomethyl)-1-piperidinyl]methyl]tetrahydro-
CID 59255057
[4-(Oxan-4-ylmethyl)morpholin-2-yl]methanamine
CID 62386566
2-Morpholin-2-ylcyclohexan-1-ol
CID 67784997
3-(1-Methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol
CID 69065642
2-(2-Aminoethyl)-1-(2,6-dimethylmorpholin-4-yl)pentan-1-ol
CID 70974454
2-[[(5-Amino-2-hydroxypentyl)amino]methyl]oxan-4-ol
CID 90824412
N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine
CID 91091378
4-(Aminomethyl)-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]oxan-4-ol
CID 132121678

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol (CID 141109294) is 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol is NCC1CCN(CC2CC(O)CCO2)CC1.
What is the InChIKey of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is WNTVUQPBZDZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-8-10-1-4-14(5-2-10)9-12-7-11(15)3-6-16-12/h10-12,15H,1-9,13H2.
What are the key properties of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol?
2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 141109294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).