1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol

C15H21Cl2NO — CID 68815496

IUPAC1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol
SMILESCCCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H21Cl2NO/c1-2-3-9-18-10-7-15(19,8-11-18)12-5-4-6-13(16)14(12)17/h4-6,19H,2-3,7-11H2,1H3
InChIKeyFIFMBAHXLSRPRC-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.08
Rot. Bonds4

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

1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol (PubChem CID 68815496) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol
PubChem CID68815496
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol
SMILESCCCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H21Cl2NO/c1-2-3-9-18-10-7-15(19,8-11-18)12-5-4-6-13(16)14(12)17/h4-6,19H,2-3,7-11H2,1H3
InChIKeyFIFMBAHXLSRPRC-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol?
The IUPAC name of 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol (CID 68815496) is 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol is CCCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol?
The InChIKey is FIFMBAHXLSRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-3-9-18-10-7-15(19,8-11-18)12-5-4-6-13(16)14(12)17/h4-6,19H,2-3,7-11H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol?
1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol has a molecular weight of 302.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol is sourced from PubChem (CID 68815496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).