1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine

C24H39FN4 — CID 131947345

IUPAC1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1N1CCC(NCC2(N3CCN(C)CC3)CCCCC2)CC1
InChIInChI=1S/C24H39FN4/c1-20-18-21(25)6-7-23(20)28-12-8-22(9-13-28)26-19-24(10-4-3-5-11-24)29-16-14-27(2)15-17-29/h6-7,18,22,26H,3-5,8-17,19H2,1-2H3
InChIKeyNCXQXSQBUZNUJT-UHFFFAOYSA-N
MW402.60 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine

1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine (PubChem CID 131947345) has the molecular formula C24H39FN4 and a molecular weight of 402.60 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine
PubChem CID131947345
Molecular FormulaC24H39FN4
Molecular Weight402.60 g/mol
Exact Mass402.32
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1N1CCC(NCC2(N3CCN(C)CC3)CCCCC2)CC1
InChIInChI=1S/C24H39FN4/c1-20-18-21(25)6-7-23(20)28-12-8-22(9-13-28)26-19-24(10-4-3-5-11-24)29-16-14-27(2)15-17-29/h6-7,18,22,26H,3-5,8-17,19H2,1-2H3
InChIKeyNCXQXSQBUZNUJT-UHFFFAOYSA-N
XLogP3.64
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126452733
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
CID 71998961
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
CID 142832495
2-[2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137253178

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine (CID 131947345) is 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine is Cc1cc(F)ccc1N1CCC(NCC2(N3CCN(C)CC3)CCCCC2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine?
The InChIKey is NCXQXSQBUZNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN4/c1-20-18-21(25)6-7-23(20)28-12-8-22(9-13-28)26-19-24(10-4-3-5-11-24)29-16-14-27(2)15-17-29/h6-7,18,22,26H,3-5,8-17,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine?
1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine has a molecular weight of 402.60 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine is sourced from PubChem (CID 131947345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).