3-(hydroxymethyl)-1-propylpiperidin-3-ol

C9H19NO2 — CID 130689857

IUPAC3-(hydroxymethyl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)(CO)C1
InChIInChI=1S/C9H19NO2/c1-2-5-10-6-3-4-9(12,7-10)8-11/h11-12H,2-8H2,1H3
InChIKeyOSUOBONRYYQIJQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.22
Rot. Bonds3

About 3-(hydroxymethyl)-1-propylpiperidin-3-ol

3-(hydroxymethyl)-1-propylpiperidin-3-ol (PubChem CID 130689857) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-propylpiperidin-3-ol
PubChem CID130689857
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(hydroxymethyl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)(CO)C1
InChIInChI=1S/C9H19NO2/c1-2-5-10-6-3-4-9(12,7-10)8-11/h11-12H,2-8H2,1H3
InChIKeyOSUOBONRYYQIJQ-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
2-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 130608363
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
CID 83914587
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012274
[3-(dimethylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012362
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-propylpiperidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-propylpiperidin-3-ol (CID 130689857) is 3-(hydroxymethyl)-1-propylpiperidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-propylpiperidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-propylpiperidin-3-ol is CCCN1CCCC(O)(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-propylpiperidin-3-ol?
The InChIKey is OSUOBONRYYQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-10-6-3-4-9(12,7-10)8-11/h11-12H,2-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-propylpiperidin-3-ol?
3-(hydroxymethyl)-1-propylpiperidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-propylpiperidin-3-ol is sourced from PubChem (CID 130689857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).