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

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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).