2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol

C16H32N2O — CID 64795703

IUPAC2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CCCCC1CC)C1CC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-16(13-19,14-8-9-14)12-18-11-6-5-7-15(18)4-2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyKZDPURLUZFQXLI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds8

About 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol (PubChem CID 64795703) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
PubChem CID64795703
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CCCCC1CC)C1CC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-16(13-19,14-8-9-14)12-18-11-6-5-7-15(18)4-2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyKZDPURLUZFQXLI-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64797230
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol (CID 64795703) is 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol is CCCNC(CO)(CN1CCCCC1CC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol?
The InChIKey is KZDPURLUZFQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-10-17-16(13-19,14-8-9-14)12-18-11-6-5-7-15(18)4-2/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64795703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).