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

C13H25N5O — CID 79735044

IUPAC3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCCn1ncnc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N5O/c1-2-18-13(15-11-16-18)10-17-7-4-12(5-8-17)19-9-3-6-14/h11-12H,2-10,14H2,1H3
InChIKeyRWTVGNGLEUJOJF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.63
Rot. Bonds7

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

3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79735044) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79735044
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCCn1ncnc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N5O/c1-2-18-13(15-11-16-18)10-17-7-4-12(5-8-17)19-9-3-6-14/h11-12H,2-10,14H2,1H3
InChIKeyRWTVGNGLEUJOJF-UHFFFAOYSA-N
XLogP0.63
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736402
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732713
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 77093819
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzonitrile
CID 79732133
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79732216
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 79731898
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79735044) is 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine is CCn1ncnc1CN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is RWTVGNGLEUJOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-2-18-13(15-11-16-18)10-17-7-4-12(5-8-17)19-9-3-6-14/h11-12H,2-10,14H2,1H3.
What are the key properties of 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79735044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).