(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine

C9H16N4O — CID 129494266

IUPAC(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine
SMILESCOCc1cn([C@@H]2CCCNC2)nn1
InChIInChI=1S/C9H16N4O/c1-14-7-8-6-13(12-11-8)9-3-2-4-10-5-9/h6,9-10H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyGKKSIEDHMQXLBQ-SECBINFHSA-N
MW196.25 g/mol
LogP0.35
Rot. Bonds3

About (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine

(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine (PubChem CID 129494266) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine
PubChem CID129494266
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine
SMILESCOCc1cn([C@@H]2CCCNC2)nn1
InChIInChI=1S/C9H16N4O/c1-14-7-8-6-13(12-11-8)9-3-2-4-10-5-9/h6,9-10H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyGKKSIEDHMQXLBQ-SECBINFHSA-N
XLogP0.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine?
The IUPAC name of (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine (CID 129494266) is (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine.
What is the SMILES notation for (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine?
The canonical SMILES for (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine is COCc1cn([C@@H]2CCCNC2)nn1.
What is the InChIKey of (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine?
The InChIKey is GKKSIEDHMQXLBQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-7-8-6-13(12-11-8)9-3-2-4-10-5-9/h6,9-10H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine?
(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine has a molecular weight of 196.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine is sourced from PubChem (CID 129494266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).