1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone

C18H28N2O — CID 124683352

IUPAC1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
SMILESCCCCc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-11-10-17(19)12-14(20)2/h6-9,14,17H,3-5,10-13,19H2,1-2H3/t14-,17+/m1/s1
InChIKeyKDLALBXHWDPMFD-PBHICJAKSA-N
MW288.44 g/mol
LogP2.91
Rot. Bonds5

About 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone

1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone (PubChem CID 124683352) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
PubChem CID124683352
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
SMILESCCCCc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-11-10-17(19)12-14(20)2/h6-9,14,17H,3-5,10-13,19H2,1-2H3/t14-,17+/m1/s1
InChIKeyKDLALBXHWDPMFD-PBHICJAKSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(4-bromophenyl)pentan-1-one
CID 124691223
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 124682725
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
CID 122149198
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
4-amino-N-butyl-2-methylpiperidine-1-carboxamide
CID 115312277
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone?
The IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone (CID 124683352) is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone.
What is the SMILES notation for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone?
The canonical SMILES for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone is CCCCc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)cc1.
What is the InChIKey of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone?
The InChIKey is KDLALBXHWDPMFD-PBHICJAKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-15-6-8-16(9-7-15)13-18(21)20-11-10-17(19)12-14(20)2/h6-9,14,17H,3-5,10-13,19H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone?
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone is sourced from PubChem (CID 124683352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).