1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine

C17H27N5 — CID 110106399

IUPAC1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCCCc1ncc(CN2CCCC(Cc3ccn[nH]3)C2)[nH]1
InChIInChI=1S/C17H27N5/c1-2-3-6-17-18-11-16(20-17)13-22-9-4-5-14(12-22)10-15-7-8-19-21-15/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyPBJZHZQFMKZIOV-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.93
Rot. Bonds7

About 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine

1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 110106399) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID110106399
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCCCc1ncc(CN2CCCC(Cc3ccn[nH]3)C2)[nH]1
InChIInChI=1S/C17H27N5/c1-2-3-6-17-18-11-16(20-17)13-22-9-4-5-14(12-22)10-15-7-8-19-21-15/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyPBJZHZQFMKZIOV-UHFFFAOYSA-N
XLogP2.93
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 124969207
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
CID 45228125
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131929434
2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124973195
N-methyl-3-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 124988938
1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 45246172
(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 26393246
4-[4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]benzoic acid
CID 122561842
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine (CID 110106399) is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine is CCCCc1ncc(CN2CCCC(Cc3ccn[nH]3)C2)[nH]1.
What is the InChIKey of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is PBJZHZQFMKZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-2-3-6-17-18-11-16(20-17)13-22-9-4-5-14(12-22)10-15-7-8-19-21-15/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 301.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 110106399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).