3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol

C14H30N2O — CID 114507604

IUPAC3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
SMILESCCCNC1CCN(CC(C)CO)CC1CC
InChIInChI=1S/C14H30N2O/c1-4-7-15-14-6-8-16(9-12(3)11-17)10-13(14)5-2/h12-15,17H,4-11H2,1-3H3
InChIKeyTXLIKPYWLKGVRN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds7

About 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol

3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol (PubChem CID 114507604) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
PubChem CID114507604
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
SMILESCCCNC1CCN(CC(C)CO)CC1CC
InChIInChI=1S/C14H30N2O/c1-4-7-15-14-6-8-16(9-12(3)11-17)10-13(14)5-2/h12-15,17H,4-11H2,1-3H3
InChIKeyTXLIKPYWLKGVRN-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
N,3-diethyl-1-(2-ethylbutyl)piperidin-4-amine
CID 114507419
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 114507702
3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 114507661
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656
2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114506917
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 114507042
3-methyl-N-propyl-1-(2,3,3-trimethylbutyl)piperidin-4-amine
CID 83143298

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol (CID 114507604) is 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol is CCCNC1CCN(CC(C)CO)CC1CC.
What is the InChIKey of 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is TXLIKPYWLKGVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-15-14-6-8-16(9-12(3)11-17)10-13(14)5-2/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol?
3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 114507604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).