1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine

C15H22N2 — CID 67828813

IUPAC1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
SMILESC[C@@H]1c2ccccc2CC[C@@H]1N1CCNCC1
InChIInChI=1S/C15H22N2/c1-12-14-5-3-2-4-13(14)6-7-15(12)17-10-8-16-9-11-17/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyPUFBAGUYJJDHOF-DOMZBBRYSA-N
MW230.36 g/mol
LogP2.01
Rot. Bonds1

About 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine

1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine (PubChem CID 67828813) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine.

Molecular Properties

Compound Name1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
PubChem CID67828813
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
SMILESC[C@@H]1c2ccccc2CC[C@@H]1N1CCNCC1
InChIInChI=1S/C15H22N2/c1-12-14-5-3-2-4-13(14)6-7-15(12)17-10-8-16-9-11-17/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyPUFBAGUYJJDHOF-DOMZBBRYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 91044952
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
CID 129392431
2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65281364
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82745694

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The IUPAC name of 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine (CID 67828813) is 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine.
What is the SMILES notation for 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The canonical SMILES for 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine is C[C@@H]1c2ccccc2CC[C@@H]1N1CCNCC1.
What is the InChIKey of 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The InChIKey is PUFBAGUYJJDHOF-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-14-5-3-2-4-13(14)6-7-15(12)17-10-8-16-9-11-17/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine has a molecular weight of 230.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine is sourced from PubChem (CID 67828813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).