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

C12H20N4 — CID 95821575

IUPAC(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1[C@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C12H20N4/c1-15-9-13-14-12(15)11-3-2-6-16(8-11)7-10-4-5-10/h9-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyYZBFAMUZUGTYNX-NSHDSACASA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds3

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

(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 95821575) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID95821575
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1[C@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C12H20N4/c1-15-9-13-14-12(15)11-3-2-6-16(8-11)7-10-4-5-10/h9-11H,2-8H2,1H3/t11-/m0/s1
InChIKeyYZBFAMUZUGTYNX-NSHDSACASA-N
XLogP1.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 129381784
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-ylsulfonylpiperidine
CID 94159166
[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 25491092
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 124989956
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
5-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79199865
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
(3S)-3-methyl-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpiperidine
CID 94061099

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 95821575) is (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1[C@H]1CCCN(CC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is YZBFAMUZUGTYNX-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4/c1-15-9-13-14-12(15)11-3-2-6-16(8-11)7-10-4-5-10/h9-11H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 95821575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).