1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde

C14H23NO — CID 79563432

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1CC2CCC1C2
InChIInChI=1S/C14H23NO/c16-10-14-3-1-2-6-15(14)9-13-8-11-4-5-12(13)7-11/h10-14H,1-9H2
InChIKeyIEWJHXTZZVODLW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde

1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde (PubChem CID 79563432) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde
PubChem CID79563432
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1CC2CCC1C2
InChIInChI=1S/C14H23NO/c16-10-14-3-1-2-6-15(14)9-13-8-11-4-5-12(13)7-11/h10-14H,1-9H2
InChIKeyIEWJHXTZZVODLW-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.48
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-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid
CID 79558379
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-2-yl]ethanamine
CID 79558165
(2S)-1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)pyrrolidine
CID 164644249
(4aR,8aR)-4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124728902
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
CID 79182740
1-(2,2-difluoroethyl)azepane-2-carbaldehyde
CID 84663152
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80520271
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine
CID 102784549
(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
CID 101081315

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde (CID 79563432) is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde?
The InChIKey is IEWJHXTZZVODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-10-14-3-1-2-6-15(14)9-13-8-11-4-5-12(13)7-11/h10-14H,1-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde?
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde has a molecular weight of 221.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 79563432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).