1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine

C16H31F2N3 — CID 154670515

IUPAC1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(CC)C(F)(F)C2)CC1
InChIInChI=1S/C16H31F2N3/c1-3-7-19-10-12-20(13-11-19)8-5-15-6-9-21(4-2)16(17,18)14-15/h15H,3-14H2,1-2H3
InChIKeyOKHAUNUPVDUVTF-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine

1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine (PubChem CID 154670515) has the molecular formula C16H31F2N3 and a molecular weight of 303.44 g/mol. Its IUPAC name is 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine
PubChem CID154670515
Molecular FormulaC16H31F2N3
Molecular Weight303.44 g/mol
Exact Mass303.25
IUPAC Name1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(CC)C(F)(F)C2)CC1
InChIInChI=1S/C16H31F2N3/c1-3-7-19-10-12-20(13-11-19)8-5-15-6-9-21(4-2)16(17,18)14-15/h15H,3-14H2,1-2H3
InChIKeyOKHAUNUPVDUVTF-UHFFFAOYSA-N
XLogP2.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
CID 99837117
1-(4-Methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811798
3,3-difluoro-1-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580792
3,3-difluoro-1-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580866
(3R)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267599
(3S)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267600
1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]piperidine
CID 69929292
1-Methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine
CID 70974053
3,3-Difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
CID 77147828
1-[2-(4-Fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 77445901
1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine
CID 122545506
3,3-Difluoro-1-(2-piperidin-1-ylethyl)piperidine
CID 123226842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine?
The IUPAC name of 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine (CID 154670515) is 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine is CCCN1CCN(CCC2CCN(CC)C(F)(F)C2)CC1.
What is the InChIKey of 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine?
The InChIKey is OKHAUNUPVDUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2N3/c1-3-7-19-10-12-20(13-11-19)8-5-15-6-9-21(4-2)16(17,18)14-15/h15H,3-14H2,1-2H3.
What are the key properties of 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine?
1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine has a molecular weight of 303.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-2,2-difluoropiperidin-4-yl)ethyl]-4-propylpiperazine is sourced from PubChem (CID 154670515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).