3-amino-1-piperidin-3-ylpropan-1-ol

C8H18N2O — CID 82596067

IUPAC3-amino-1-piperidin-3-ylpropan-1-ol
SMILESNCCC(O)C1CCCNC1
InChIInChI=1S/C8H18N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h7-8,10-11H,1-6,9H2
InChIKeyYQXSQUXNHJHACR-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.30
Rot. Bonds3

About 3-amino-1-piperidin-3-ylpropan-1-ol

3-amino-1-piperidin-3-ylpropan-1-ol (PubChem CID 82596067) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-1-piperidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-piperidin-3-ylpropan-1-ol
PubChem CID82596067
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-1-piperidin-3-ylpropan-1-ol
SMILESNCCC(O)C1CCCNC1
InChIInChI=1S/C8H18N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h7-8,10-11H,1-6,9H2
InChIKeyYQXSQUXNHJHACR-UHFFFAOYSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851
4,4-difluoro-3-piperidin-3-ylbutan-1-amine
CID 115019045
1-piperidin-3-ylhex-4-yn-1-ol
CID 104809639
1-(azepan-3-yl)pentan-1-ol
CID 67828850
piperidin-3-ylmethanediol
CID 5231808
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
3-ethoxy-3-piperidin-3-ylpropan-1-amine
CID 105442327
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
cyclopentyl(piperidin-3-yl)methanol
CID 80560291
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-piperidin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-1-piperidin-3-ylpropan-1-ol (CID 82596067) is 3-amino-1-piperidin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-piperidin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-piperidin-3-ylpropan-1-ol is NCCC(O)C1CCCNC1.
What is the InChIKey of 3-amino-1-piperidin-3-ylpropan-1-ol?
The InChIKey is YQXSQUXNHJHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h7-8,10-11H,1-6,9H2.
What are the key properties of 3-amino-1-piperidin-3-ylpropan-1-ol?
3-amino-1-piperidin-3-ylpropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-piperidin-3-ylpropan-1-ol is sourced from PubChem (CID 82596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).