3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol

C14H28F2N2O — CID 83992872

IUPAC3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCCCN1CC(CCCO)CC(NCC(F)F)C1
InChIInChI=1S/C14H28F2N2O/c1-2-3-6-18-10-12(5-4-7-19)8-13(11-18)17-9-14(15)16/h12-14,17,19H,2-11H2,1H3
InChIKeyLSWSCFDGULVESF-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.10
Rot. Bonds9

About 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol

3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992872) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992872
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCCCN1CC(CCCO)CC(NCC(F)F)C1
InChIInChI=1S/C14H28F2N2O/c1-2-3-6-18-10-12(5-4-7-19)8-13(11-18)17-9-14(15)16/h12-14,17,19H,2-11H2,1H3
InChIKeyLSWSCFDGULVESF-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
1-butyl-5-(cyclopropylmethyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994249
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097

Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992872) is 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol is CCCCN1CC(CCCO)CC(NCC(F)F)C1.
What is the InChIKey of 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is LSWSCFDGULVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-2-3-6-18-10-12(5-4-7-19)8-13(11-18)17-9-14(15)16/h12-14,17,19H,2-11H2,1H3.
What are the key properties of 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol?
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).