N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

C18H30N4 — CID 124568865

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCN(C[C@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C18H30N4/c1-20(16-17-6-3-2-4-7-17)18-8-12-21(13-9-18)14-15-22-11-5-10-19-22/h2-3,5,10-11,17-18H,4,6-9,12-16H2,1H3/t17-/m0/s1
InChIKeyCUZKTHKAJPVSBU-KRWDZBQOSA-N
MW302.47 g/mol
LogP2.64
Rot. Bonds6

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (PubChem CID 124568865) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
PubChem CID124568865
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCN(C[C@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C18H30N4/c1-20(16-17-6-3-2-4-7-17)18-8-12-21(13-9-18)14-15-22-11-5-10-19-22/h2-3,5,10-11,17-18H,4,6-9,12-16H2,1H3/t17-/m0/s1
InChIKeyCUZKTHKAJPVSBU-KRWDZBQOSA-N
XLogP2.64
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (CID 124568865) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is CN(C[C@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The InChIKey is CUZKTHKAJPVSBU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4/c1-20(16-17-6-3-2-4-7-17)18-8-12-21(13-9-18)14-15-22-11-5-10-19-22/h2-3,5,10-11,17-18H,4,6-9,12-16H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine has a molecular weight of 302.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 124568865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).