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

C12H24N2O2 — CID 62390578

IUPAC1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
SMILESNCC1(CN2CCC(O)CC2)CCOCC1
InChIInChI=1S/C12H24N2O2/c13-9-12(3-7-16-8-4-12)10-14-5-1-11(15)2-6-14/h11,15H,1-10,13H2
InChIKeyNEHVJIYWDNHYPQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds3

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

1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol (PubChem CID 62390578) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
PubChem CID62390578
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
SMILESNCC1(CN2CCC(O)CC2)CCOCC1
InChIInChI=1S/C12H24N2O2/c13-9-12(3-7-16-8-4-12)10-14-5-1-11(15)2-6-14/h11,15H,1-10,13H2
InChIKeyNEHVJIYWDNHYPQ-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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol (CID 62390578) is 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol is NCC1(CN2CCC(O)CC2)CCOCC1.
What is the InChIKey of 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol?
The InChIKey is NEHVJIYWDNHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-9-12(3-7-16-8-4-12)10-14-5-1-11(15)2-6-14/h11,15H,1-10,13H2.
What are the key properties of 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol?
1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-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 1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 62390578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).