N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine

C21H38N4 — CID 155740125

IUPACN-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C21H38N4/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22-17(3)4/h14-18,20-22H,5-13H2,1-4H3
InChIKeyPVAULMGXDHQPIN-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine

N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine (PubChem CID 155740125) has the molecular formula C21H38N4 and a molecular weight of 346.56 g/mol. Its IUPAC name is N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
PubChem CID155740125
Molecular FormulaC21H38N4
Molecular Weight346.56 g/mol
Exact Mass346.31
IUPAC NameN-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C21H38N4/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22-17(3)4/h14-18,20-22H,5-13H2,1-4H3
InChIKeyPVAULMGXDHQPIN-UHFFFAOYSA-N
XLogP4.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine (CID 155740125) is N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1.
What is the InChIKey of N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is PVAULMGXDHQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22-17(3)4/h14-18,20-22H,5-13H2,1-4H3.
What are the key properties of N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine?
N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 346.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 155740125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).