2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol

C10H20F2N2O — CID 115724759

IUPAC2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N2O/c1-8(7-15)13-9-2-4-14(5-3-9)6-10(11)12/h8-10,13,15H,2-7H2,1H3
InChIKeyZFIVMIAUJTZVCB-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.69
Rot. Bonds5

About 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol

2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 115724759) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID115724759
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N2O/c1-8(7-15)13-9-2-4-14(5-3-9)6-10(11)12/h8-10,13,15H,2-7H2,1H3
InChIKeyZFIVMIAUJTZVCB-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724726
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
CID 97231653
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
2-(cyclododecylamino)propan-1-ol
CID 43499740
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
1-(2,2-difluoroethyl)-N-[1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 75427712
1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 97321883

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol (CID 115724759) is 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol is CC(CO)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is ZFIVMIAUJTZVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8(7-15)13-9-2-4-14(5-3-9)6-10(11)12/h8-10,13,15H,2-7H2,1H3.
What are the key properties of 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol?
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 115724759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).