3-(piperidin-2-ylmethylamino)propan-1-ol

C9H20N2O — CID 106633028

IUPAC3-(piperidin-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCN1
InChIInChI=1S/C9H20N2O/c12-7-3-5-10-8-9-4-1-2-6-11-9/h9-12H,1-8H2
InChIKeyVDIVNJHDGARDMF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds5

About 3-(piperidin-2-ylmethylamino)propan-1-ol

3-(piperidin-2-ylmethylamino)propan-1-ol (PubChem CID 106633028) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(piperidin-2-ylmethylamino)propan-1-ol
PubChem CID106633028
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(piperidin-2-ylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCN1
InChIInChI=1S/C9H20N2O/c12-7-3-5-10-8-9-4-1-2-6-11-9/h9-12H,1-8H2
InChIKeyVDIVNJHDGARDMF-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106309461
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(piperidin-2-ylmethylamino)propan-1-ol (CID 106633028) is 3-(piperidin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(piperidin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(piperidin-2-ylmethylamino)propan-1-ol is OCCCNCC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethylamino)propan-1-ol?
The InChIKey is VDIVNJHDGARDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c12-7-3-5-10-8-9-4-1-2-6-11-9/h9-12H,1-8H2.
What are the key properties of 3-(piperidin-2-ylmethylamino)propan-1-ol?
3-(piperidin-2-ylmethylamino)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106633028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).