(3R)-1-cycloheptyl-3-methylpiperazine

C12H24N2 — CID 95437868

IUPAC(3R)-1-cycloheptyl-3-methylpiperazine
SMILESC[C@@H]1CN(C2CCCCCC2)CCN1
InChIInChI=1S/C12H24N2/c1-11-10-14(9-8-13-11)12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3/t11-/m1/s1
InChIKeyNSSWUXFOCLRMID-LLVKDONJSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds1

About (3R)-1-cycloheptyl-3-methylpiperazine

(3R)-1-cycloheptyl-3-methylpiperazine (PubChem CID 95437868) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-3-methylpiperazine
PubChem CID95437868
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3R)-1-cycloheptyl-3-methylpiperazine
SMILESC[C@@H]1CN(C2CCCCCC2)CCN1
InChIInChI=1S/C12H24N2/c1-11-10-14(9-8-13-11)12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3/t11-/m1/s1
InChIKeyNSSWUXFOCLRMID-LLVKDONJSA-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

1-cyclopropyl-3-methylpiperazine
CID 64926788
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800
(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine
CID 96996203
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
CID 104975328
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-3-methylpiperazine?
The IUPAC name of (3R)-1-cycloheptyl-3-methylpiperazine (CID 95437868) is (3R)-1-cycloheptyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-cycloheptyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-cycloheptyl-3-methylpiperazine is C[C@@H]1CN(C2CCCCCC2)CCN1.
What is the InChIKey of (3R)-1-cycloheptyl-3-methylpiperazine?
The InChIKey is NSSWUXFOCLRMID-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-10-14(9-8-13-11)12-6-4-2-3-5-7-12/h11-13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-3-methylpiperazine?
(3R)-1-cycloheptyl-3-methylpiperazine 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 (3R)-1-cycloheptyl-3-methylpiperazine is sourced from PubChem (CID 95437868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).