1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine

C20H35N5 — CID 70750678

IUPAC1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCN(C)CC1
InChIInChI=1S/C20H35N5/c1-16(25-12-10-22(2)11-13-25)17-6-8-24(9-7-17)15-19-14-21-23(3)20(19)18-4-5-18/h14,16-18H,4-13,15H2,1-3H3
InChIKeyOZUAMBFUXSRFAL-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine

1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine (PubChem CID 70750678) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
PubChem CID70750678
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCN(C)CC1
InChIInChI=1S/C20H35N5/c1-16(25-12-10-22(2)11-13-25)17-6-8-24(9-7-17)15-19-14-21-23(3)20(19)18-4-5-18/h14,16-18H,4-13,15H2,1-3H3
InChIKeyOZUAMBFUXSRFAL-UHFFFAOYSA-N
XLogP2.15
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine (CID 70750678) is 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine is CC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The InChIKey is OZUAMBFUXSRFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-16(25-12-10-22(2)11-13-25)17-6-8-24(9-7-17)15-19-14-21-23(3)20(19)18-4-5-18/h14,16-18H,4-13,15H2,1-3H3.
What are the key properties of 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine has a molecular weight of 345.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 70750678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).