(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane

C12H24N2 — CID 124718938

IUPAC(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
SMILESCN1CCCC[C@H]1[C@H]1CCCCCN1
InChIInChI=1S/C12H24N2/c1-14-10-6-4-8-12(14)11-7-3-2-5-9-13-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyFOKUOISMVYSDEI-NEPJUHHUSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds1

About (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane

(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane (PubChem CID 124718938) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
PubChem CID124718938
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
SMILESCN1CCCC[C@H]1[C@H]1CCCCCN1
InChIInChI=1S/C12H24N2/c1-14-10-6-4-8-12(14)11-7-3-2-5-9-13-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyFOKUOISMVYSDEI-NEPJUHHUSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
(2S)-2-[4-(azacyclododec-2-yl)cyclohexyl]-1-methyl-azacyclododecane
CID 90429318
(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
CID 155972992
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
CID 135393059
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
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CID 24870181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane?
The IUPAC name of (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane (CID 124718938) is (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane.
What is the SMILES notation for (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane?
The canonical SMILES for (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane is CN1CCCC[C@H]1[C@H]1CCCCCN1.
What is the InChIKey of (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane?
The InChIKey is FOKUOISMVYSDEI-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2/c1-14-10-6-4-8-12(14)11-7-3-2-5-9-13-11/h11-13H,2-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane?
(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane has a molecular weight of 196.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane is sourced from PubChem (CID 124718938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).