(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine

C16H25N5 — CID 124997611

IUPAC(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCCn1ccnc1CN1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H25N5/c1-2-8-21-10-7-17-16(21)13-20-9-3-4-14(12-20)11-15-5-6-18-19-15/h5-7,10,14H,2-4,8-9,11-13H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyRBNBSYAIRVKEHB-CQSZACIVSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds6

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

(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 124997611) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID124997611
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCCCn1ccnc1CN1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H25N5/c1-2-8-21-10-7-17-16(21)13-20-9-3-4-14(12-20)11-15-5-6-18-19-15/h5-7,10,14H,2-4,8-9,11-13H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyRBNBSYAIRVKEHB-CQSZACIVSA-N
XLogP2.47
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399
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
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
N-methyl-3-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 124988938
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
3-[(3S)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97195148
3-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine (CID 124997611) is (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine is CCCn1ccnc1CN1CCC[C@H](Cc2ccn[nH]2)C1.
What is the InChIKey of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is RBNBSYAIRVKEHB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-8-21-10-7-17-16(21)13-20-9-3-4-14(12-20)11-15-5-6-18-19-15/h5-7,10,14H,2-4,8-9,11-13H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine?
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 124997611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).