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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Related Compounds

N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
CID 122137908
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124617495
4-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione
CID 45219847
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-ethyl-N-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
CID 124966819
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728

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).