[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol

C20H37FN2O — CID 163430502

IUPAC[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol
SMILESCCCN1CCC(C(O)C2CCN(C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C20H37FN2O/c1-2-11-22-12-7-16(8-13-22)20(24)17-9-14-23(15-10-17)19-5-3-18(21)4-6-19/h16-20,24H,2-15H2,1H3
InChIKeyAQBPCAPCJUGBAX-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.46
Rot. Bonds5

About [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol

[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol (PubChem CID 163430502) has the molecular formula C20H37FN2O and a molecular weight of 340.53 g/mol. Its IUPAC name is [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol
PubChem CID163430502
Molecular FormulaC20H37FN2O
Molecular Weight340.53 g/mol
Exact Mass340.29
IUPAC Name[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol
SMILESCCCN1CCC(C(O)C2CCN(C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C20H37FN2O/c1-2-11-22-12-7-16(8-13-22)20(24)17-9-14-23(15-10-17)19-5-3-18(21)4-6-19/h16-20,24H,2-15H2,1H3
InChIKeyAQBPCAPCJUGBAX-UHFFFAOYSA-N
XLogP3.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol?
The IUPAC name of [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol (CID 163430502) is [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol.
What is the SMILES notation for [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol?
The canonical SMILES for [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol is CCCN1CCC(C(O)C2CCN(C3CCC(F)CC3)CC2)CC1.
What is the InChIKey of [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol?
The InChIKey is AQBPCAPCJUGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN2O/c1-2-11-22-12-7-16(8-13-22)20(24)17-9-14-23(15-10-17)19-5-3-18(21)4-6-19/h16-20,24H,2-15H2,1H3.
What are the key properties of [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol?
[1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol has a molecular weight of 340.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol is sourced from PubChem (CID 163430502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).