1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol

C13H26N2O2 — CID 102967050

IUPAC1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC2(CN)CCOCC2)CC1O
InChIInChI=1S/C13H26N2O2/c1-11-2-5-15(8-12(11)16)10-13(9-14)3-6-17-7-4-13/h11-12,16H,2-10,14H2,1H3
InChIKeyKUICMMRJUJRGBR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.44
Rot. Bonds3

About 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol

1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol (PubChem CID 102967050) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol
PubChem CID102967050
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC2(CN)CCOCC2)CC1O
InChIInChI=1S/C13H26N2O2/c1-11-2-5-15(8-12(11)16)10-13(9-14)3-6-17-7-4-13/h11-12,16H,2-10,14H2,1H3
InChIKeyKUICMMRJUJRGBR-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(aminomethyl)oxan-4-yl]methyl]piperidin-4-ol
CID 62390578
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62390573
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-3-ol
CID 102967040
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol (CID 102967050) is 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol is CC1CCN(CC2(CN)CCOCC2)CC1O.
What is the InChIKey of 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol?
The InChIKey is KUICMMRJUJRGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-2-5-15(8-12(11)16)10-13(9-14)3-6-17-7-4-13/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol?
1-[[4-(aminomethyl)oxan-4-yl]methyl]-4-methylpiperidin-3-ol has a molecular weight of 242.36 g/mol, XLogP of 0.44, 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]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102967050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).