[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid

C9H20NO4P — CID 174404331

IUPAC[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid
SMILESO=P(O)(O)CC1CCN(CCCO)CC1
InChIInChI=1S/C9H20NO4P/c11-7-1-4-10-5-2-9(3-6-10)8-15(12,13)14/h9,11H,1-8H2,(H2,12,13,14)
InChIKeyKHXBPNQOTMRQCW-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.26
Rot. Bonds5

About [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid

[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid (PubChem CID 174404331) has the molecular formula C9H20NO4P and a molecular weight of 237.24 g/mol. Its IUPAC name is [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid.

Molecular Properties

Compound Name[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid
PubChem CID174404331
Molecular FormulaC9H20NO4P
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid
SMILESO=P(O)(O)CC1CCN(CCCO)CC1
InChIInChI=1S/C9H20NO4P/c11-7-1-4-10-5-2-9(3-6-10)8-15(12,13)14/h9,11H,1-8H2,(H2,12,13,14)
InChIKeyKHXBPNQOTMRQCW-UHFFFAOYSA-N
XLogP0.26
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide
CID 87600676
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 110931659
3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
CID 67282001
2-[1-(5-hydroxypentyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 110923811
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
1-(3-hydroxypropyl)-N-propylpiperidine-4-carboxamide
CID 110884748
3-[1-(3-hydroxypropyl)piperidin-4-yl]but-3-en-2-one
CID 146478395

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid?
The IUPAC name of [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid (CID 174404331) is [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid.
What is the SMILES notation for [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid?
The canonical SMILES for [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid is O=P(O)(O)CC1CCN(CCCO)CC1.
What is the InChIKey of [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid?
The InChIKey is KHXBPNQOTMRQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO4P/c11-7-1-4-10-5-2-9(3-6-10)8-15(12,13)14/h9,11H,1-8H2,(H2,12,13,14).
What are the key properties of [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid?
[1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid has a molecular weight of 237.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxypropyl)piperidin-4-yl]methylphosphonic acid is sourced from PubChem (CID 174404331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).