cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde

C11H19NO — CID 125425532

IUPACcis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde
SMILESCN1CCC(C)([C@@H]2C[C@H]2C=O)CC1
InChIInChI=1S/C11H19NO/c1-11(10-7-9(10)8-13)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyJXLOHOKPUMOWNC-VHSXEESVSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde (PubChem CID 125425532) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde
PubChem CID125425532
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde
SMILESCN1CCC(C)([C@@H]2C[C@H]2C=O)CC1
InChIInChI=1S/C11H19NO/c1-11(10-7-9(10)8-13)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyJXLOHOKPUMOWNC-VHSXEESVSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 105435539
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CID 18684989
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CID 22982702
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CID 23388595
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CID 53812110
CID 53812110
CID 53954202
CID 53954202
CID 54002027
CID 54002027
CID 58017205
CID 58017205
CID 58101767
CID 58101767
CID 59110261
CID 59110261
CID 67890086
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CID 83905759
CID 83905759

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde (CID 125425532) is cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde is CN1CCC(C)([C@@H]2C[C@H]2C=O)CC1.
What is the InChIKey of cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde?
The InChIKey is JXLOHOKPUMOWNC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(10-7-9(10)8-13)3-5-12(2)6-4-11/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(1,4-dimethylpiperidin-4-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 125425532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).