2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol

C31H49NOSn — CID 19696304

IUPAC2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22NO.3C4H9.Sn/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16;3*1-3-4-2;/h1,3-10,17,19,21H,11-15H2;3*1,3-4H2,2H3;
InChIKeyYGGSSARTWDTGDO-UHFFFAOYSA-N
MW570.45 g/mol
LogP7.66
Rot. Bonds14

About 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol

2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol (PubChem CID 19696304) has the molecular formula C31H49NOSn and a molecular weight of 570.45 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol
PubChem CID19696304
Molecular FormulaC31H49NOSn
Molecular Weight570.45 g/mol
Exact Mass571.28
IUPAC Name2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22NO.3C4H9.Sn/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16;3*1-3-4-2;/h1,3-10,17,19,21H,11-15H2;3*1,3-4H2,2H3;
InChIKeyYGGSSARTWDTGDO-UHFFFAOYSA-N
XLogP7.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.45
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol
CID 67828718
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
4-[1-hydroxy-2-[4-(4-hydroxyphenyl)piperidin-1-yl]ethyl]benzoic acid
CID 70367122
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol (CID 19696304) is 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol is CCCC[Sn](CCCC)(CCCC)c1ccc(C(O)CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol?
The InChIKey is YGGSSARTWDTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO.3C4H9.Sn/c21-19(18-9-5-2-6-10-18)15-20-13-11-17(12-14-20)16-7-3-1-4-8-16;3*1-3-4-2;/h1,3-10,17,19,21H,11-15H2;3*1,3-4H2,2H3;.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol?
2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol has a molecular weight of 570.45 g/mol, XLogP of 7.66, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol is sourced from PubChem (CID 19696304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).