(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

C14H22N6 — CID 99931486

IUPAC(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCCCn1ccnc1CN1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H22N6/c1-2-6-20-8-5-15-13(20)10-19-7-3-4-12(9-19)14-16-11-17-18-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyVXDACKPRWBBQKL-GFCCVEGCSA-N
MW274.37 g/mol
LogP1.79
Rot. Bonds5

About (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine

(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 99931486) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID99931486
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCCCn1ccnc1CN1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H22N6/c1-2-6-20-8-5-15-13(20)10-19-7-3-4-12(9-19)14-16-11-17-18-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyVXDACKPRWBBQKL-GFCCVEGCSA-N
XLogP1.79
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
3-[(3S)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97195148
3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 99957391
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
1-(2-methylsulfonylethyl)-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 131951524
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
3-(1H-1,2,4-triazol-5-yl)-1-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butan-2-yl]piperidine
CID 136516291
(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
1-ethyl-4-[[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 131931905
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 99931486) is (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is CCCn1ccnc1CN1CCC[C@@H](c2ncn[nH]2)C1.
What is the InChIKey of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is VXDACKPRWBBQKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-6-20-8-5-15-13(20)10-19-7-3-4-12(9-19)14-16-11-17-18-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine?
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 99931486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).