2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol

C15H30N2O — CID 64790214

IUPAC2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN1CCCC(C)(C)C1)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-16-15(12-18,13-6-7-13)11-17-9-5-8-14(2,3)10-17/h13,16,18H,4-12H2,1-3H3
InChIKeyLUMGQWDKJFEBDX-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds6

About 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol (PubChem CID 64790214) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
PubChem CID64790214
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN1CCCC(C)(C)C1)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-16-15(12-18,13-6-7-13)11-17-9-5-8-14(2,3)10-17/h13,16,18H,4-12H2,1-3H3
InChIKeyLUMGQWDKJFEBDX-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790209
2-cyclopropyl-2-(ethylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102746414
2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
CID 64809169
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 107395999
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64796232
1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
CID 64821615
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
CID 65282324
3-[(3,3-dimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 79813270
2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol (CID 64790214) is 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol is CCNC(CO)(CN1CCCC(C)(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is LUMGQWDKJFEBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-16-15(12-18,13-6-7-13)11-17-9-5-8-14(2,3)10-17/h13,16,18H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64790214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).