3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol

C9H19NO2 — CID 115103468

IUPAC3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol
SMILESOCCCC1(CO)CCCCN1
InChIInChI=1S/C9H19NO2/c11-7-3-5-9(8-12)4-1-2-6-10-9/h10-12H,1-8H2
InChIKeyAYFQNPCRQKYQHK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds4

About 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol

3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol (PubChem CID 115103468) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol
PubChem CID115103468
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol
SMILESOCCCC1(CO)CCCCN1
InChIInChI=1S/C9H19NO2/c11-7-3-5-9(8-12)4-1-2-6-10-9/h10-12H,1-8H2
InChIKeyAYFQNPCRQKYQHK-UHFFFAOYSA-N
XLogP0.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol
CID 103415296
[2-(pyrrolidin-2-ylmethyl)piperidin-2-yl]methanol
CID 115103630
2-ethyl-2-pentylazepane
CID 79116798
[2-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 83080759
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
2-ethyl-2-(3-methylsulfonylpropyl)azepane
CID 79117199
2-butyl-2-hexylpyrrolidine
CID 174534205
[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 83080326
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
[2-(2,2,2-trifluoroethoxymethyl)pyrrolidin-2-yl]methanol
CID 106706508
2,2-dipropylpyrrolidine
CID 13332418

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol (CID 115103468) is 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol is OCCCC1(CO)CCCCN1.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol?
The InChIKey is AYFQNPCRQKYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-7-3-5-9(8-12)4-1-2-6-10-9/h10-12H,1-8H2.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol?
3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 115103468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).