N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine

C13H25N5 — CID 79538630

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NC(C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-10(8-12-6-4-5-7-14-12)16-11(2)13-17-15-9-18(13)3/h9-12,14,16H,4-8H2,1-3H3
InChIKeyKLFJRVYMBCRQQR-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.39
Rot. Bonds5

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79538630) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79538630
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NC(C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-10(8-12-6-4-5-7-14-12)16-11(2)13-17-15-9-18(13)3/h9-12,14,16H,4-8H2,1-3H3
InChIKeyKLFJRVYMBCRQQR-UHFFFAOYSA-N
XLogP1.39
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine (CID 79538630) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NC(C)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is KLFJRVYMBCRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(8-12-6-4-5-7-14-12)16-11(2)13-17-15-9-18(13)3/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).