1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol

C14H20ClNO — CID 114794962

IUPAC1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
SMILESCC(O)(Cc1ccncc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-14(17,12-5-3-2-4-6-12)9-11-7-8-16-10-13(11)15/h7-8,10,12,17H,2-6,9H2,1H3
InChIKeyCDURPLRJSTZSCQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.61
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol

1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol (PubChem CID 114794962) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
PubChem CID114794962
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
SMILESCC(O)(Cc1ccncc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-14(17,12-5-3-2-4-6-12)9-11-7-8-16-10-13(11)15/h7-8,10,12,17H,2-6,9H2,1H3
InChIKeyCDURPLRJSTZSCQ-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794811
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148617
4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
CID 83151291
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
CID 114794983
2-cyclohexyl-1-naphthalen-1-ylpropan-2-ol
CID 114795042
4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol
CID 66002261
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol (CID 114794962) is 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol is CC(O)(Cc1ccncc1Cl)C1CCCCC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol?
The InChIKey is CDURPLRJSTZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(17,12-5-3-2-4-6-12)9-11-7-8-16-10-13(11)15/h7-8,10,12,17H,2-6,9H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol?
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol has a molecular weight of 253.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol is sourced from PubChem (CID 114794962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).