1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine

C16H31F2N3 — CID 154671789

IUPAC1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CCC2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C16H31F2N3/c1-14(2)12-21-10-8-20(9-11-21)7-5-15-4-6-19(3)13-16(15,17)18/h14-15H,4-13H2,1-3H3
InChIKeyRITRDXIXYMIIQA-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine

1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine (PubChem CID 154671789) has the molecular formula C16H31F2N3 and a molecular weight of 303.44 g/mol. Its IUPAC name is 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
PubChem CID154671789
Molecular FormulaC16H31F2N3
Molecular Weight303.44 g/mol
Exact Mass303.25
IUPAC Name1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CCC2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C16H31F2N3/c1-14(2)12-21-10-8-20(9-11-21)7-5-15-4-6-19(3)13-16(15,17)18/h14-15H,4-13H2,1-3H3
InChIKeyRITRDXIXYMIIQA-UHFFFAOYSA-N
XLogP2.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine (CID 154671789) is 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(CCC2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine?
The InChIKey is RITRDXIXYMIIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2N3/c1-14(2)12-21-10-8-20(9-11-21)7-5-15-4-6-19(3)13-16(15,17)18/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine?
1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine has a molecular weight of 303.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 154671789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).