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

C21H39FN4O — CID 140544453

IUPAC1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
SMILESCOC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C21H39FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h16-21,23-24H,2-15H2,1H3
InChIKeyBHNCWJDDKOEAGA-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.18
Rot. Bonds5

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

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine (PubChem CID 140544453) has the molecular formula C21H39FN4O and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
PubChem CID140544453
Molecular FormulaC21H39FN4O
Molecular Weight382.57 g/mol
Exact Mass382.31
IUPAC Name1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine
SMILESCOC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1
InChIInChI=1S/C21H39FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h16-21,23-24H,2-15H2,1H3
InChIKeyBHNCWJDDKOEAGA-UHFFFAOYSA-N
XLogP2.18
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methylcyclohexyl)piperazine
CID 140544450
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
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
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
1-cyclopropyl-4-fluoropiperidine
CID 154325828
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine
CID 74558361
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine?
The IUPAC name of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine (CID 140544453) is 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine.
What is the SMILES notation for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine?
The canonical SMILES for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine is COC1CCC(N2CCN(CC3CNNC3C3CCC(F)CC3)CC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine?
The InChIKey is BHNCWJDDKOEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN4O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-2-4-18(22)5-3-16/h16-21,23-24H,2-15H2,1H3.
What are the key properties of 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine?
1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine has a molecular weight of 382.57 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]-4-(4-methoxycyclohexyl)piperazine is sourced from PubChem (CID 140544453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).