N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

C13H25N5 — CID 104869160

IUPACN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2cn(C)nn2)C1
InChIInChI=1S/C13H25N5/c1-11(2)14-7-12-5-4-6-18(8-12)10-13-9-17(3)16-15-13/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyWKZIGPJLSXITEE-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.03
Rot. Bonds5

About N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 104869160) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID104869160
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2cn(C)nn2)C1
InChIInChI=1S/C13H25N5/c1-11(2)14-7-12-5-4-6-18(8-12)10-13-9-17(3)16-15-13/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyWKZIGPJLSXITEE-UHFFFAOYSA-N
XLogP1.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241351
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 104869160) is N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2cn(C)nn2)C1.
What is the InChIKey of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is WKZIGPJLSXITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)14-7-12-5-4-6-18(8-12)10-13-9-17(3)16-15-13/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).