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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Related Compounds

N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 155740125
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
N-[[4-[4-(4-butan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine;ethane
CID 155739750
1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
CID 82930973
N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine
CID 105483316
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 155740847
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
CID 172606973
N-methyl-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]propan-1-amine
CID 105498228

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).