1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

C16H23Cl2NO — CID 79064831

IUPAC1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-16(2,19-9-5-4-6-10-19)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3
InChIKeyTYHDGEYCRIZPFQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.68
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 79064831) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
PubChem CID79064831
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-16(2,19-9-5-4-6-10-19)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3
InChIKeyTYHDGEYCRIZPFQ-UHFFFAOYSA-N
XLogP4.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol with MolForge

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Related Compounds

2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
CID 115374171
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 114726874

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (CID 79064831) is 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is TYHDGEYCRIZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-16(2,19-9-5-4-6-10-19)15(20)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 79064831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).