[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone

C20H31N3O2 — CID 124694657

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
SMILESC[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@H]3CN)cc2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-17-6-8-18(9-7-17)20(24)23-10-4-3-5-19(23)11-21/h6-9,15-16,19H,3-5,10-14,21H2,1-2H3/t15-,16+,19-/m0/s1
InChIKeyRXQVOKUSJHUTDB-FCEWJHQRSA-N
MW345.49 g/mol
LogP2.25
Rot. Bonds4

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone (PubChem CID 124694657) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
PubChem CID124694657
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
SMILESC[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@H]3CN)cc2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-17-6-8-18(9-7-17)20(24)23-10-4-3-5-19(23)11-21/h6-9,15-16,19H,3-5,10-14,21H2,1-2H3/t15-,16+,19-/m0/s1
InChIKeyRXQVOKUSJHUTDB-FCEWJHQRSA-N
XLogP2.25
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 124694666
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 125153505
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
CID 119469450
1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 74138603
methyl (2S)-1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]pyrrolidine-2-carboxylate
CID 124829290
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
1-[(3S)-4-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-3-methylpiperazin-1-yl]ethanone
CID 98788015
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124689277
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone (CID 124694657) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone is C[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@H]3CN)cc2)C[C@H](C)O1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The InChIKey is RXQVOKUSJHUTDB-FCEWJHQRSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-17-6-8-18(9-7-17)20(24)23-10-4-3-5-19(23)11-21/h6-9,15-16,19H,3-5,10-14,21H2,1-2H3/t15-,16+,19-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone has a molecular weight of 345.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone is sourced from PubChem (CID 124694657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).