2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one

C19H30N2O2 — CID 119748409

IUPAC2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H30N2O2/c1-5-10-19(4,20)18(22)21-11-8-16(9-12-21)23-17-13-14(2)6-7-15(17)3/h6-7,13,16H,5,8-12,20H2,1-4H3
InChIKeyOFDGOOLIPAHMHB-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one

2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 119748409) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID119748409
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1
InChIInChI=1S/C19H30N2O2/c1-5-10-19(4,20)18(22)21-11-8-16(9-12-21)23-17-13-14(2)6-7-15(17)3/h6-7,13,16H,5,8-12,20H2,1-4H3
InChIKeyOFDGOOLIPAHMHB-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 145375199
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
5-(2,5-dimethylphenoxy)-1-[4-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperazin-1-yl]-2,2-dimethylpentan-1-one
CID 54784533
1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide
CID 54855365
(2S)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94624231

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one (CID 119748409) is 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1.
What is the InChIKey of 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is OFDGOOLIPAHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-10-19(4,20)18(22)21-11-8-16(9-12-21)23-17-13-14(2)6-7-15(17)3/h6-7,13,16H,5,8-12,20H2,1-4H3.
What are the key properties of 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one?
2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 119748409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).