1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine

C19H35ClFN5 — CID 140544408

IUPAC1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCC3Cl)CC2)CC1
InChIInChI=1S/C19H35ClFN5/c20-17-2-1-7-22-19(17)26-10-8-25(9-11-26)13-15-12-23-24-18(15)14-3-5-16(21)6-4-14/h14-19,22-24H,1-13H2
InChIKeyROURHGRDZDYHIR-UHFFFAOYSA-N
MW387.98 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine

1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine (PubChem CID 140544408) has the molecular formula C19H35ClFN5 and a molecular weight of 387.98 g/mol. Its IUPAC name is 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
PubChem CID140544408
Molecular FormulaC19H35ClFN5
Molecular Weight387.98 g/mol
Exact Mass387.26
IUPAC Name1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine
SMILESFC1CCC(C2NNCC2CN2CCN(C3NCCCC3Cl)CC2)CC1
InChIInChI=1S/C19H35ClFN5/c20-17-2-1-7-22-19(17)26-10-8-25(9-11-26)13-15-12-23-24-18(15)14-3-5-16(21)6-4-14/h14-19,22-24H,1-13H2
InChIKeyROURHGRDZDYHIR-UHFFFAOYSA-N
XLogP1.54
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.98
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The IUPAC name of 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine (CID 140544408) is 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine is FC1CCC(C2NNCC2CN2CCN(C3NCCCC3Cl)CC2)CC1.
What is the InChIKey of 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
The InChIKey is ROURHGRDZDYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35ClFN5/c20-17-2-1-7-22-19(17)26-10-8-25(9-11-26)13-15-12-23-24-18(15)14-3-5-16(21)6-4-14/h14-19,22-24H,1-13H2.
What are the key properties of 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine?
1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine has a molecular weight of 387.98 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropiperidin-2-yl)-4-[[3-(4-fluorocyclohexyl)pyrazolidin-4-yl]methyl]piperazine is sourced from PubChem (CID 140544408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).