1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine

C18H29N5 — CID 86791637

IUPAC1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCCN(Cc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C18H29N5/c1-18(2,3)17-15(11-20-21-17)13-23-8-5-6-14(12-23)10-16-19-7-9-22(16)4/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,21)
InChIKeyGCPWZEYXIGXCKL-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.90
Rot. Bonds4

About 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine

1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine (PubChem CID 86791637) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
PubChem CID86791637
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCCN(Cc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C18H29N5/c1-18(2,3)17-15(11-20-21-17)13-23-8-5-6-14(12-23)10-16-19-7-9-22(16)4/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,21)
InChIKeyGCPWZEYXIGXCKL-UHFFFAOYSA-N
XLogP2.90
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
5-fluoro-2-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 86771061
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75518425
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine (CID 86791637) is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine is Cn1ccnc1CC1CCCN(Cc2cn[nH]c2C(C)(C)C)C1.
What is the InChIKey of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is GCPWZEYXIGXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-18(2,3)17-15(11-20-21-17)13-23-8-5-6-14(12-23)10-16-19-7-9-22(16)4/h7,9,11,14H,5-6,8,10,12-13H2,1-4H3,(H,20,21).
What are the key properties of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine?
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 315.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 86791637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).