1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol

C15H29FN2O — CID 165116509

IUPAC1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
SMILESCCCCN1CCC(CN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C15H29FN2O/c1-2-3-7-17-8-4-13(5-9-17)11-18-10-6-15(19)14(16)12-18/h13-15,19H,2-12H2,1H3
InChIKeyFGOWZWLJFREBQT-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.90
Rot. Bonds5

About 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol

1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol (PubChem CID 165116509) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
PubChem CID165116509
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
SMILESCCCCN1CCC(CN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C15H29FN2O/c1-2-3-7-17-8-4-13(5-9-17)11-18-10-6-15(19)14(16)12-18/h13-15,19H,2-12H2,1H3
InChIKeyFGOWZWLJFREBQT-UHFFFAOYSA-N
XLogP1.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bispidinol
CID 194673
1-[(Piperidin-4-yl)methyl]piperidin-4-ol
CID 22047942
3-[4-(1-Fluoroethyl)piperidin-1-yl]propan-1-ol
CID 67281914
3-[4-(2-Fluoroethyl)piperidin-1-yl]propan-1-ol
CID 67282005
3-[4-(Fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67282849
1-[5-[4-(2-Fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
CID 137425990
3-(4-Fluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 142524248
3-Fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 146713076
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 155302705
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
1-[(1-Butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine
CID 156707432
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 157039324

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol?
The IUPAC name of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol (CID 165116509) is 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol.
What is the SMILES notation for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol?
The canonical SMILES for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol is CCCCN1CCC(CN2CCC(O)C(F)C2)CC1.
What is the InChIKey of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol?
The InChIKey is FGOWZWLJFREBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-2-3-7-17-8-4-13(5-9-17)11-18-10-6-15(19)14(16)12-18/h13-15,19H,2-12H2,1H3.
What are the key properties of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol?
1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol has a molecular weight of 272.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol is sourced from PubChem (CID 165116509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).