[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone

C14H18N2O3 — CID 124573517

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
SMILESNC[C@H]1CCCCN1C(=O)c1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3/c15-8-10-4-1-2-7-16(10)14(17)11-5-3-6-12-13(11)19-9-18-12/h3,5-6,10H,1-2,4,7-9,15H2/t10-/m1/s1
InChIKeyLDIZZHVTPZIQSU-SNVBAGLBSA-N
MW262.31 g/mol
LogP1.37
Rot. Bonds2

About [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone (PubChem CID 124573517) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
PubChem CID124573517
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
SMILESNC[C@H]1CCCCN1C(=O)c1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3/c15-8-10-4-1-2-7-16(10)14(17)11-5-3-6-12-13(11)19-9-18-12/h3,5-6,10H,1-2,4,7-9,15H2/t10-/m1/s1
InChIKeyLDIZZHVTPZIQSU-SNVBAGLBSA-N
XLogP1.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-4-yl-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 95335478
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
CID 124569507
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 63755916
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60955013
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61408827
[2-(chloromethyl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 55187995
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 80503914
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 80675959

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone (CID 124573517) is [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone is NC[C@H]1CCCCN1C(=O)c1cccc2c1OCO2.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone?
The InChIKey is LDIZZHVTPZIQSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-8-10-4-1-2-7-16(10)14(17)11-5-3-6-12-13(11)19-9-18-12/h3,5-6,10H,1-2,4,7-9,15H2/t10-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone is sourced from PubChem (CID 124573517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).