3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol

C13H24N2O — CID 115723071

IUPAC3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
SMILESC#CCN1CCC(NC(CC)CCO)CC1
InChIInChI=1S/C13H24N2O/c1-3-8-15-9-5-13(6-10-15)14-12(4-2)7-11-16/h1,12-14,16H,4-11H2,2H3
InChIKeyLTYOWIHFBNYITO-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.83
Rot. Bonds6

About 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol

3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 115723071) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID115723071
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
SMILESC#CCN1CCC(NC(CC)CCO)CC1
InChIInChI=1S/C13H24N2O/c1-3-8-15-9-5-13(6-10-15)14-12(4-2)7-11-16/h1,12-14,16H,4-11H2,2H3
InChIKeyLTYOWIHFBNYITO-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)pentan-1-ol
CID 83815190
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159
1-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-2-ol
CID 115719377
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54964413
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
2-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334
N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
CID 43785961
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855

Frequently Asked Questions

What is the IUPAC name of 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol (CID 115723071) is 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol is C#CCN1CCC(NC(CC)CCO)CC1.
What is the InChIKey of 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is LTYOWIHFBNYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-8-15-9-5-13(6-10-15)14-12(4-2)7-11-16/h1,12-14,16H,4-11H2,2H3.
What are the key properties of 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol?
3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 115723071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).