3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol

C18H30N2O — CID 64788960

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CN1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)13-20-11-10-15(2)12-16(20)3/h5-9,15-16,19,21H,4,10-14H2,1-3H3
InChIKeyGRKLSAKGRVMDJL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds6

About 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol

3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol (PubChem CID 64788960) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
PubChem CID64788960
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CN1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)13-20-11-10-15(2)12-16(20)3/h5-9,15-16,19,21H,4,10-14H2,1-3H3
InChIKeyGRKLSAKGRVMDJL-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62329869
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 62330903
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62331854
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62430351
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol (CID 64788960) is 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol is CCNC(CO)(CN1CCC(C)CC1C)c1ccccc1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol?
The InChIKey is GRKLSAKGRVMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(14-21,17-8-6-5-7-9-17)13-20-11-10-15(2)12-16(20)3/h5-9,15-16,19,21H,4,10-14H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol?
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64788960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).