1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

C14H25NO — CID 62277310

IUPAC1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCCN1CC1(C=O)CCCCC1
InChIInChI=1S/C14H25NO/c1-13-7-3-6-10-15(13)11-14(12-16)8-4-2-5-9-14/h12-13H,2-11H2,1H3
InChIKeyAYQVDUJYKOZXOH-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds3

About 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde

1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 62277310) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID62277310
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCCN1CC1(C=O)CCCCC1
InChIInChI=1S/C14H25NO/c1-13-7-3-6-10-15(13)11-14(12-16)8-4-2-5-9-14/h12-13H,2-11H2,1H3
InChIKeyAYQVDUJYKOZXOH-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
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

1-[[2-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 62276822
1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cycloheptane-1-carbaldehyde
CID 114221540
1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cycloheptane-1-carbaldehyde
CID 79946281
1-[(2-methylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457487
[1-[(2-methylpiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 82171577
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276005
ethane;1-ethyl-2-methylazepane
CID 145020951
2-[1-[(2-methylazepan-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65496824
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol
CID 104550058
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]oxolane-3-carbaldehyde
CID 116638064

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 62277310) is 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is CC1CCCCN1CC1(C=O)CCCCC1.
What is the InChIKey of 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is AYQVDUJYKOZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13-7-3-6-10-15(13)11-14(12-16)8-4-2-5-9-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 223.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62277310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).