5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol

C12H25NO3 — CID 57340002

IUPAC5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol
SMILESCCCC1(CCC)NCC(O)C(O)C1CO
InChIInChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3
InChIKeyGZJQITPDATVFSD-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.26
Rot. Bonds5

About 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol

5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol (PubChem CID 57340002) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol
PubChem CID57340002
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol
SMILESCCCC1(CCC)NCC(O)C(O)C1CO
InChIInChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3
InChIKeyGZJQITPDATVFSD-UHFFFAOYSA-N
XLogP0.26
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol?
The IUPAC name of 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol (CID 57340002) is 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol is CCCC1(CCC)NCC(O)C(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol?
The InChIKey is GZJQITPDATVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol?
5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol has a molecular weight of 231.34 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6,6-dipropylpiperidine-3,4-diol is sourced from PubChem (CID 57340002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).