1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol

C32H51NOSn — CID 67828718

IUPAC1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(C(C)O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24NO.3C4H9.Sn/c1-16(22)20(19-10-6-3-7-11-19)21-14-12-18(13-15-21)17-8-4-2-5-9-17;3*1-3-4-2;/h2-6,8-11,16,18,20,22H,12-15H2,1H3;3*1,3-4H2,2H3;
InChIKeyYSJSJODQPHLLCN-UHFFFAOYSA-N
MW584.48 g/mol
LogP8.04
Rot. Bonds14

About 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol

1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol (PubChem CID 67828718) has the molecular formula C32H51NOSn and a molecular weight of 584.48 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol
PubChem CID67828718
Molecular FormulaC32H51NOSn
Molecular Weight584.48 g/mol
Exact Mass585.30
IUPAC Name1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(C(C)O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24NO.3C4H9.Sn/c1-16(22)20(19-10-6-3-7-11-19)21-14-12-18(13-15-21)17-8-4-2-5-9-17;3*1-3-4-2;/h2-6,8-11,16,18,20,22H,12-15H2,1H3;3*1,3-4H2,2H3;
InChIKeyYSJSJODQPHLLCN-UHFFFAOYSA-N
XLogP8.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.48
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylpiperidin-1-yl)-1-(4-tributylstannylphenyl)ethanol
CID 19696304
phenyl-(4-phenylpiperidin-1-yl)methanol
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CID 62133226
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
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CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247202
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol (CID 67828718) is 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol is CCCC[Sn](CCCC)(CCCC)c1cccc(C(C(C)O)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol?
The InChIKey is YSJSJODQPHLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO.3C4H9.Sn/c1-16(22)20(19-10-6-3-7-11-19)21-14-12-18(13-15-21)17-8-4-2-5-9-17;3*1-3-4-2;/h2-6,8-11,16,18,20,22H,12-15H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol?
1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol has a molecular weight of 584.48 g/mol, XLogP of 8.04, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)-1-(3-tributylstannylphenyl)propan-2-ol is sourced from PubChem (CID 67828718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).