1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde

C14H19NO — CID 62654379

IUPAC1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
SMILESCc1ccccc1CN1CCCC(C=O)C1
InChIInChI=1S/C14H19NO/c1-12-5-2-3-7-14(12)10-15-8-4-6-13(9-15)11-16/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyWMRYUQMYTMEFNS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.41
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde

1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde (PubChem CID 62654379) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
PubChem CID62654379
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
SMILESCc1ccccc1CN1CCCC(C=O)C1
InChIInChI=1S/C14H19NO/c1-12-5-2-3-7-14(12)10-15-8-4-6-13(9-15)11-16/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyWMRYUQMYTMEFNS-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.41
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-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carbaldehyde
CID 62654938
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carbaldehyde
CID 104794777
1-benzylazepane-3-carbaldehyde
CID 83910081
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
1-(pyrimidin-2-ylmethyl)piperidine-3-carbaldehyde
CID 62698844
1-[(2-methylphenyl)methyl]-N-(2-methylpropyl)piperidin-3-amine
CID 83994261
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
CID 62654035

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde (CID 62654379) is 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde is Cc1ccccc1CN1CCCC(C=O)C1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde?
The InChIKey is WMRYUQMYTMEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-5-2-3-7-14(12)10-15-8-4-6-13(9-15)11-16/h2-3,5,7,11,13H,4,6,8-10H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde?
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 62654379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).