2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine

C18H31N7 — CID 29170184

IUPAC2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)N2CCC(n3cc(C(C)(C)N)nn3)CC2)n1
InChIInChI=1S/C18H31N7/c1-13-10-14(2)24(21-13)11-15(3)23-8-6-16(7-9-23)25-12-17(20-22-25)18(4,5)19/h10,12,15-16H,6-9,11,19H2,1-5H3/t15-/m1/s1
InChIKeyWNEGEFZUVBIBSA-OAHLLOKOSA-N
MW345.50 g/mol
LogP2.01
Rot. Bonds5

About 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine

2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine (PubChem CID 29170184) has the molecular formula C18H31N7 and a molecular weight of 345.50 g/mol. Its IUPAC name is 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine
PubChem CID29170184
Molecular FormulaC18H31N7
Molecular Weight345.50 g/mol
Exact Mass345.26
IUPAC Name2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)N2CCC(n3cc(C(C)(C)N)nn3)CC2)n1
InChIInChI=1S/C18H31N7/c1-13-10-14(2)24(21-13)11-15(3)23-8-6-16(7-9-23)25-12-17(20-22-25)18(4,5)19/h10,12,15-16H,6-9,11,19H2,1-5H3/t15-/m1/s1
InChIKeyWNEGEFZUVBIBSA-OAHLLOKOSA-N
XLogP2.01
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 31225171
1-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 63913503
2-[1-[1-(thian-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925181
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
CID 131935560
N-(3-chloro-4-fluorophenyl)-3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]propanamide
CID 25477537
4-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 164635188
4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46993628
2-[1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 31054589
3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine
CID 143481497
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine (CID 29170184) is 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine is Cc1cc(C)n(C[C@@H](C)N2CCC(n3cc(C(C)(C)N)nn3)CC2)n1.
What is the InChIKey of 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine?
The InChIKey is WNEGEFZUVBIBSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N7/c1-13-10-14(2)24(21-13)11-15(3)23-8-6-16(7-9-23)25-12-17(20-22-25)18(4,5)19/h10,12,15-16H,6-9,11,19H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine?
2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine has a molecular weight of 345.50 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 29170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).