1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine

C21H40N4 — CID 155739616

IUPAC1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
SMILESCC(C)c1cnn(C2CCN(C3CCCCC3)CC2)c1.CNC(C)C
InChIInChI=1S/C17H29N3.C4H11N/c1-14(2)15-12-18-20(13-15)17-8-10-19(11-9-17)16-6-4-3-5-7-16;1-4(2)5-3/h12-14,16-17H,3-11H2,1-2H3;4-5H,1-3H3
InChIKeyMNPJLPHSLBGSAB-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.59
Rot. Bonds4

About 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine

1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine (PubChem CID 155739616) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
PubChem CID155739616
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
SMILESCC(C)c1cnn(C2CCN(C3CCCCC3)CC2)c1.CNC(C)C
InChIInChI=1S/C17H29N3.C4H11N/c1-14(2)15-12-18-20(13-15)17-8-10-19(11-9-17)16-6-4-3-5-7-16;1-4(2)5-3/h12-14,16-17H,3-11H2,1-2H3;4-5H,1-3H3
InChIKeyMNPJLPHSLBGSAB-UHFFFAOYSA-N
XLogP4.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine (CID 155739616) is 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine is CC(C)c1cnn(C2CCN(C3CCCCC3)CC2)c1.CNC(C)C.
What is the InChIKey of 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine?
The InChIKey is MNPJLPHSLBGSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3.C4H11N/c1-14(2)15-12-18-20(13-15)17-8-10-19(11-9-17)16-6-4-3-5-7-16;1-4(2)5-3/h12-14,16-17H,3-11H2,1-2H3;4-5H,1-3H3.
What are the key properties of 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine?
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine has a molecular weight of 348.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine is sourced from PubChem (CID 155739616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).