BNCYWFKJJIUFMG-UHFFFAOYSA-N

C14H20ClNO — CID 12711983

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)CC1
InChIInChI=1S/C14H20ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3
InChIKeyBNCYWFKJJIUFMG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.03
Rot. Bonds2

About BNCYWFKJJIUFMG-UHFFFAOYSA-N

BNCYWFKJJIUFMG-UHFFFAOYSA-N (PubChem CID 12711983) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol.

Molecular Properties

Compound NameBNCYWFKJJIUFMG-UHFFFAOYSA-N
PubChem CID12711983
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)CC1
InChIInChI=1S/C14H20ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3
InChIKeyBNCYWFKJJIUFMG-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of BNCYWFKJJIUFMG-UHFFFAOYSA-N?
The IUPAC name of BNCYWFKJJIUFMG-UHFFFAOYSA-N (CID 12711983) is 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol.
What is the SMILES notation for BNCYWFKJJIUFMG-UHFFFAOYSA-N?
The canonical SMILES for BNCYWFKJJIUFMG-UHFFFAOYSA-N is CN(C)C1(c2ccc(Cl)cc2)CCC(O)CC1.
What is the InChIKey of BNCYWFKJJIUFMG-UHFFFAOYSA-N?
The InChIKey is BNCYWFKJJIUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3.
What are the key properties of BNCYWFKJJIUFMG-UHFFFAOYSA-N?
BNCYWFKJJIUFMG-UHFFFAOYSA-N has a molecular weight of 253.77 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for BNCYWFKJJIUFMG-UHFFFAOYSA-N is sourced from PubChem (CID 12711983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).