(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one

C15H30N2O2 — CID 107392505

IUPAC(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
SMILESCOC1(C)CCCN(C(=O)C[C@@H](CN)CC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)8-13(10-16)9-14(18)17-7-5-6-15(3,11-17)19-4/h12-13H,5-11,16H2,1-4H3/t13-,15?/m0/s1
InChIKeyZEKVPFGPDMEAJC-CFMCSPIPSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds6

About (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one

(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one (PubChem CID 107392505) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
PubChem CID107392505
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
SMILESCOC1(C)CCCN(C(=O)C[C@@H](CN)CC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)8-13(10-16)9-14(18)17-7-5-6-15(3,11-17)19-4/h12-13H,5-11,16H2,1-4H3/t13-,15?/m0/s1
InChIKeyZEKVPFGPDMEAJC-CFMCSPIPSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888805
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one?
The IUPAC name of (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one (CID 107392505) is (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one.
What is the SMILES notation for (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one?
The canonical SMILES for (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one is COC1(C)CCCN(C(=O)C[C@@H](CN)CC(C)C)C1.
What is the InChIKey of (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one?
The InChIKey is ZEKVPFGPDMEAJC-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)8-13(10-16)9-14(18)17-7-5-6-15(3,11-17)19-4/h12-13H,5-11,16H2,1-4H3/t13-,15?/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one?
(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one is sourced from PubChem (CID 107392505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).