2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol

C10H18N2O — CID 43774102

IUPAC2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
SMILESC#CCN1CCC(NCCO)CC1
InChIInChI=1S/C10H18N2O/c1-2-6-12-7-3-10(4-8-12)11-5-9-13/h1,10-11,13H,3-9H2
InChIKeyHXTMYDCXRDLGIW-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.33
Rot. Bonds4

About 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol

2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol (PubChem CID 43774102) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
PubChem CID43774102
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
SMILESC#CCN1CCC(NCCO)CC1
InChIInChI=1S/C10H18N2O/c1-2-6-12-7-3-10(4-8-12)11-5-9-13/h1,10-11,13H,3-9H2
InChIKeyHXTMYDCXRDLGIW-UHFFFAOYSA-N
XLogP-0.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.33
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

N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 103082637
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238

Frequently Asked Questions

What is the IUPAC name of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol (CID 43774102) is 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol is C#CCN1CCC(NCCO)CC1.
What is the InChIKey of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol?
The InChIKey is HXTMYDCXRDLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-6-12-7-3-10(4-8-12)11-5-9-13/h1,10-11,13H,3-9H2.
What are the key properties of 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol?
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol has a molecular weight of 182.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 43774102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).