[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol

C12H23NO2 — CID 56738438

IUPAC[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCNCC1
InChIInChI=1S/C12H23NO2/c14-10-12(4-6-13-7-5-12)9-11-3-1-2-8-15-11/h11,13-14H,1-10H2
InChIKeyRDWIIWHUGLWQAH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds3

About [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol

[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56738438) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56738438
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCNCC1
InChIInChI=1S/C12H23NO2/c14-10-12(4-6-13-7-5-12)9-11-3-1-2-8-15-11/h11,13-14H,1-10H2
InChIKeyRDWIIWHUGLWQAH-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol (CID 56738438) is [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol is OCC1(CC2CCCCO2)CCNCC1.
What is the InChIKey of [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is RDWIIWHUGLWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-10-12(4-6-13-7-5-12)9-11-3-1-2-8-15-11/h11,13-14H,1-10H2.
What are the key properties of [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
[4-(oxan-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).