1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde

C13H18N2O — CID 174467781

IUPAC1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
SMILESNCc1ccc(N2CCCCC2C=O)cc1
InChIInChI=1S/C13H18N2O/c14-9-11-4-6-12(7-5-11)15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9,14H2
InChIKeyRQZCMTXKLNQKNO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde

1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde (PubChem CID 174467781) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
PubChem CID174467781
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
SMILESNCc1ccc(N2CCCCC2C=O)cc1
InChIInChI=1S/C13H18N2O/c14-9-11-4-6-12(7-5-11)15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9,14H2
InChIKeyRQZCMTXKLNQKNO-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
CID 175249776
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
1-[4-(1-aminoethyl)phenyl]pyrrolidine-2-carbaldehyde
CID 167239299
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
CID 174971713
3-(2-formylpiperidin-1-yl)benzenecarboximidamide
CID 142030266
1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
CID 83128897
hex-1-ene;1-phenylpiperidine-2-carbaldehyde
CID 174454912
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
6-[(2R)-2-formylpiperidin-1-yl]isoquinoline-1-carbonitrile
CID 90194373
1-(4-amino-2-methylphenyl)azepane-2-carbaldehyde
CID 174467789
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde (CID 174467781) is 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde is NCc1ccc(N2CCCCC2C=O)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde?
The InChIKey is RQZCMTXKLNQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-11-4-6-12(7-5-11)15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9,14H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde?
1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 174467781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).