2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine

C17H32N6 — CID 46990920

IUPAC2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCCN1CCC(N2CCC(n3cc(C(C)(C)N)nn3)CC2)CC1
InChIInChI=1S/C17H32N6/c1-4-21-9-5-14(6-10-21)22-11-7-15(8-12-22)23-13-16(19-20-23)17(2,3)18/h13-15H,4-12,18H2,1-3H3
InChIKeyHEIGAXMCMBNKEB-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine

2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine (PubChem CID 46990920) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
PubChem CID46990920
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCCN1CCC(N2CCC(n3cc(C(C)(C)N)nn3)CC2)CC1
InChIInChI=1S/C17H32N6/c1-4-21-9-5-14(6-10-21)22-11-7-15(8-12-22)23-13-16(19-20-23)17(2,3)18/h13-15H,4-12,18H2,1-3H3
InChIKeyHEIGAXMCMBNKEB-UHFFFAOYSA-N
XLogP1.59
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-(thian-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925181
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
2-[1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 31054589
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 31225171
2-[1-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 29170184
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 29254785
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
2-[1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154887908
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine (CID 46990920) is 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine is CCN1CCC(N2CCC(n3cc(C(C)(C)N)nn3)CC2)CC1.
What is the InChIKey of 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The InChIKey is HEIGAXMCMBNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-4-21-9-5-14(6-10-21)22-11-7-15(8-12-22)23-13-16(19-20-23)17(2,3)18/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine has a molecular weight of 320.49 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 46990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).