1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine

C21H39FN4 — CID 140544450

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C21H39FN4/c1-16-2-8-20(9-3-16)26-12-10-25(11-13-26)15-18-14-23-24-21(18)17-4-6-19(22)7-5-17/h16-21,23-24H,2-15H2,1H3
InChIKeyZFALXIYZOGMQKJ-UHFFFAOYSA-N
MW366.57 g/mol
LogP2.80
Rot. Bonds4

About 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine (PubChem CID 140544450) has the molecular formula C21H39FN4 and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
PubChem CID140544450
Molecular FormulaC21H39FN4
Molecular Weight366.57 g/mol
Exact Mass366.32
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C21H39FN4/c1-16-2-8-20(9-3-16)26-12-10-25(11-13-26)15-18-14-23-24-21(18)17-4-6-19(22)7-5-17/h16-21,23-24H,2-15H2,1H3
InChIKeyZFALXIYZOGMQKJ-UHFFFAOYSA-N
XLogP2.80
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
CID 140544453
1-(3,4-dichlorocyclohexyl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
CID 140544443
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(5-iodopiperidin-2-yl)piperazine
CID 140544462
6-[4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazin-1-yl]piperidine-3-carboxylic acid
CID 140544404
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexane-1-carboxamide
CID 140544406
N-[[2-fluoro-5-[4-[[4-[5-(trifluoromethyl)piperidin-2-yl]piperazin-1-yl]methyl]pyrazolidin-3-yl]cyclohexyl]methyl]formamide
CID 140544458
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
1-cyclopropyl-4-fluoropiperidine
CID 154325828
4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine (CID 140544450) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine?
The InChIKey is ZFALXIYZOGMQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN4/c1-16-2-8-20(9-3-16)26-12-10-25(11-13-26)15-18-14-23-24-21(18)17-4-6-19(22)7-5-17/h16-21,23-24H,2-15H2,1H3.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine has a molecular weight of 366.57 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 140544450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).