4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol

C14H20F2N2O — CID 165458048

IUPAC4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol
SMILESNCC(F)(F)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20F2N2O/c15-14(16,11-17)13(19)6-8-18(9-7-13)10-12-4-2-1-3-5-12/h1-5,19H,6-11,17H2
InChIKeyHNNRDJUYLOSNJU-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.61
Rot. Bonds4

About 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol

4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol (PubChem CID 165458048) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol
PubChem CID165458048
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol
SMILESNCC(F)(F)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20F2N2O/c15-14(16,11-17)13(19)6-8-18(9-7-13)10-12-4-2-1-3-5-12/h1-5,19H,6-11,17H2
InChIKeyHNNRDJUYLOSNJU-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 78461
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CID 80189
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CID 10421026
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CID 4962677
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CID 18425738
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CID 84590178
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CID 16786116
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CID 15283107
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CID 2723780
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CID 765229
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CID 90271
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CID 563600
CID 563600

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol?
The IUPAC name of 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol (CID 165458048) is 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol is NCC(F)(F)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol?
The InChIKey is HNNRDJUYLOSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-14(16,11-17)13(19)6-8-18(9-7-13)10-12-4-2-1-3-5-12/h1-5,19H,6-11,17H2.
What are the key properties of 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol?
4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol has a molecular weight of 270.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,1-difluoroethyl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 165458048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).