(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol

C16H26N2O — CID 103784139

IUPAC(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-13(14-8-10-18(2)11-9-14)17-16(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13?,16-/m1/s1
InChIKeyUKDGQQPCERTKHL-FQNRMIAFSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds5

About (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol

(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol (PubChem CID 103784139) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
PubChem CID103784139
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-13(14-8-10-18(2)11-9-14)17-16(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13?,16-/m1/s1
InChIKeyUKDGQQPCERTKHL-FQNRMIAFSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol (CID 103784139) is (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol is CC(N[C@H](CO)c1ccccc1)C1CCN(C)CC1.
What is the InChIKey of (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol?
The InChIKey is UKDGQQPCERTKHL-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(14-8-10-18(2)11-9-14)17-16(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol has a molecular weight of 262.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).