5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine

C17H34FN5 — CID 134340085

IUPAC5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)CC1
InChIInChI=1S/C17H34FN5/c1-20-7-9-22(10-8-20)11-14-3-5-23(6-4-14)17-15(18)12-21(2)13-16(17)19/h14-17H,3-13,19H2,1-2H3
InChIKeyNDTGFISSKFWQMK-UHFFFAOYSA-N
MW327.49 g/mol
LogP-0.07
Rot. Bonds3

About 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine

5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (PubChem CID 134340085) has the molecular formula C17H34FN5 and a molecular weight of 327.49 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
PubChem CID134340085
Molecular FormulaC17H34FN5
Molecular Weight327.49 g/mol
Exact Mass327.28
IUPAC Name5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESCN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)CC1
InChIInChI=1S/C17H34FN5/c1-20-7-9-22(10-8-20)11-14-3-5-23(6-4-14)17-15(18)12-21(2)13-16(17)19/h14-17H,3-13,19H2,1-2H3
InChIKeyNDTGFISSKFWQMK-UHFFFAOYSA-N
XLogP-0.07
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine 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

N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 19775384
3-Ethylaminoquinuclidine
CID 19849160
5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
5-Fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134321543
5-Fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]piperidin-3-amine
CID 134577933
5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine
CID 138646079
(3S,4S)-1-[1-[4-(tert-butylamino)-4-methylpiperidin-1-yl]-2-methylpropan-2-yl]-3-fluoropiperidin-4-amine
CID 156467826
1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 159878361
4-Fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091285
(3S)-1-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]-3-methylpiperazine
CID 169685055
1-[[1-(2,2-Dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]-3-methylpiperazine
CID 169685056
4-[2-[4-(2-Amino-2-methylpropyl)-4-fluoropiperidin-1-yl]-2-methylpropyl]-1-tert-butylpiperidin-3-amine
CID 169860070

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The IUPAC name of 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (CID 134340085) is 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine is CN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)CC1.
What is the InChIKey of 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The InChIKey is NDTGFISSKFWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34FN5/c1-20-7-9-22(10-8-20)11-14-3-5-23(6-4-14)17-15(18)12-21(2)13-16(17)19/h14-17H,3-13,19H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine has a molecular weight of 327.49 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 134340085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).