1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid

C14H23NO2 — CID 79558379

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CC2CCC1C2
InChIInChI=1S/C14H23NO2/c16-14(17)13-3-1-2-6-15(13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2,(H,16,17)
InChIKeyDSMVPMPMRUPKDA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid (PubChem CID 79558379) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid
PubChem CID79558379
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CC1CC2CCC1C2
InChIInChI=1S/C14H23NO2/c16-14(17)13-3-1-2-6-15(13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2,(H,16,17)
InChIKeyDSMVPMPMRUPKDA-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde
CID 79563432
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
(2S)-1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)pyrrolidine
CID 164644249
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
(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
(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
CID 28819925
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80520271
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-(3,3,3-trifluoro-2-hydroxypropyl)azepane-2-carboxylic acid
CID 64562379
3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216258
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid (CID 79558379) is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid?
The InChIKey is DSMVPMPMRUPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(17)13-3-1-2-6-15(13)9-12-8-10-4-5-11(12)7-10/h10-13H,1-9H2,(H,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid?
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 79558379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).