2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol

C15H24N2O — CID 114235448

IUPAC2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
SMILESCC1(C)CNCCC1NC(CO)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2)11-16-9-8-14(15)17-13(10-18)12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3
InChIKeyMELINVRPYQGPJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.70
Rot. Bonds4

About 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol

2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol (PubChem CID 114235448) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
PubChem CID114235448
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
SMILESCC1(C)CNCCC1NC(CO)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2)11-16-9-8-14(15)17-13(10-18)12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3
InChIKeyMELINVRPYQGPJS-UHFFFAOYSA-N
XLogP1.70
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
2-[(4,4-dimethylthian-3-yl)amino]-2-phenylethanol
CID 79947872
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol (CID 114235448) is 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol is CC1(C)CNCCC1NC(CO)c1ccccc1.
What is the InChIKey of 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol?
The InChIKey is MELINVRPYQGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)11-16-9-8-14(15)17-13(10-18)12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3.
What are the key properties of 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol?
2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol has a molecular weight of 248.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 114235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).