(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine

C11H18N4 — CID 143517449

IUPAC(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine
SMILESc1nncn1[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C11H18N4/c1-2-11(15-8-12-13-9-15)7-14(5-1)6-10-3-4-10/h8-11H,1-7H2/t11-/m1/s1
InChIKeyHDFVRLLKNPJZQP-LLVKDONJSA-N
MW206.29 g/mol
LogP1.33
Rot. Bonds3

About (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine

(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine (PubChem CID 143517449) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine
PubChem CID143517449
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine
SMILESc1nncn1[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C11H18N4/c1-2-11(15-8-12-13-9-15)7-14(5-1)6-10-3-4-10/h8-11H,1-7H2/t11-/m1/s1
InChIKeyHDFVRLLKNPJZQP-LLVKDONJSA-N
XLogP1.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]methanamine
CID 79532956
2-[(4-ethylcyclohexyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939394
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]triazole-4-carbaldehyde
CID 129496500
2-(cyclobutylmethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925982
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine
CID 104575648
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine (CID 143517449) is (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine is c1nncn1[C@@H]1CCCN(CC2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine?
The InChIKey is HDFVRLLKNPJZQP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-11(15-8-12-13-9-15)7-14(5-1)6-10-3-4-10/h8-11H,1-7H2/t11-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine?
(3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine has a molecular weight of 206.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 143517449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).