1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

C14H28FN3 — CID 165137676

IUPAC1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C14H28FN3/c1-13(2)11-17-7-3-14(15,4-8-17)12-18-9-5-16-6-10-18/h13,16H,3-12H2,1-2H3
InChIKeyBCOLDZIQBZZUQS-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.35
Rot. Bonds4

About 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (PubChem CID 165137676) has the molecular formula C14H28FN3 and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
PubChem CID165137676
Molecular FormulaC14H28FN3
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)CN1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C14H28FN3/c1-13(2)11-17-7-3-14(15,4-8-17)12-18-9-5-16-6-10-18/h13,16H,3-12H2,1-2H3
InChIKeyBCOLDZIQBZZUQS-UHFFFAOYSA-N
XLogP1.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]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

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
4-Methyl-1,4'-bipiperidine
CID 795715
1-Methyl-4-(piperidin-3-ylmethyl)piperazine
CID 20668416
1-Methyl-4-(piperidin-4-ylmethyl)piperazine
CID 23391792
1-Methyl-4-[2-(piperidin-4-yl)ethyl]piperazine
CID 4778264
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700
1-[(1-Methylpiperidin-3-yl)methyl]piperazine
CID 2736940
1-((1-Methyl-4-piperidinyl)methyl)piperazine
CID 2736942
4-Methyl-1-(piperidin-3-ylmethyl)piperidine
CID 16767828
2-(4-Ethylpiperidin-1-yl)ethanamine
CID 20819864
1-Methyl-4-(3-methylpiperidin-4-yl)piperazine
CID 64198968

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (CID 165137676) is 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is CC(C)CN1CCC(F)(CN2CCNCC2)CC1.
What is the InChIKey of 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is BCOLDZIQBZZUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3/c1-13(2)11-17-7-3-14(15,4-8-17)12-18-9-5-16-6-10-18/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 257.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 165137676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).